Thursday, June 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethoxy]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamidine
CAS Name: N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanimidamide
IUPAC NAME: N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanimidamide
SYSTEMATIC NAME: N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethoxy]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanimidamide
MOLECULAR FORMULA: C16H19N5O3
MOLECULAR WEIGHT: 329.35376
SMILES: CC1=NC(=NO1)C/C(=N\OCC(=O)N2CCCC3=CC=CC=C32)/N
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Product OPENEYE NAME: 2-[(E)-[1-amino-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylidene]amino]oxy-N-(1,3-benzodioxol-5-yl)acetamide
CAS Name: 2-[(E)-[1-amino-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylidene]amino]oxy-N-(1,3-benzodioxol-5-yl)acetamide
IUPAC NAME: 2-[(E)-[1-amino-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylidene]amino]oxy-N-(1,3-benzodioxol-5-yl)acetamide
SYSTEMATIC NAME: 2-[(E)-[1-azanyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylidene]amino]oxy-N-(1,3-benzodioxol-5-yl)ethanamide
MOLECULAR FORMULA: C14H15N5O5
MOLECULAR WEIGHT: 333.2994
SMILES: CC1=NC(=NO1)C/C(=N\OCC(=O)NC2=CC3=C(C=C2)OCO3)/N
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Product OPENEYE NAME: 2-[(E)-[1-amino-2-(1,3-benzothiazol-2-yl)ethylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CAS Name: 2-[(E)-[1-amino-2-(1,3-benzothiazol-2-yl)ethylidene]amino]oxy-N-(4-ethylphenyl)acetamide
IUPAC NAME: 2-[(E)-[1-amino-2-(1,3-benzothiazol-2-yl)ethylidene]amino]oxy-N-(4-ethylphenyl)acetamide
SYSTEMATIC NAME: 2-[(E)-[1-azanyl-2-(1,3-benzothiazol-2-yl)ethylidene]amino]oxy-N-(4-ethylphenyl)ethanamide
MOLECULAR FORMULA: C19H20N4O2S
MOLECULAR WEIGHT: 368.4527
SMILES: CCC1=CC=C(C=C1)NC(=O)CO/N=C(\CC2=NC3=CC=CC=C3S2)/N
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Product OPENEYE NAME: N-(3-chloro-4-methoxy-phenyl)-2-[difluoromethylsulfonyl(methyl)amino]acetamide
CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[difluoromethylsulfonyl(methyl)amino]acetamide
IUPAC NAME: N-(3-chloro-4-methoxyphenyl)-2-[difluoromethylsulfonyl(methyl)amino]acetamide
SYSTEMATIC NAME: 2-[bis(fluoranyl)methylsulfonyl-methyl-amino]-N-(3-chloranyl-4-methoxy-phenyl)ethanamide
MOLECULAR FORMULA: C11H13ClF2N2O4S
MOLECULAR WEIGHT: 342.746726
SMILES: CN(CC(=O)NC1=CC(=C(C=C1)OC)Cl)S(=O)(=O)C(F)F
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Product OPENEYE NAME: 2-[difluoromethylsulfonyl(methyl)amino]-N-methyl-N-phenyl-acetamide
CAS Name: 2-[difluoromethylsulfonyl(methyl)amino]-N-methyl-N-phenylacetamide
IUPAC NAME: 2-[difluoromethylsulfonyl(methyl)amino]-N-methyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[bis(fluoranyl)methylsulfonyl-methyl-amino]-N-methyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C11H14F2N2O3S
MOLECULAR WEIGHT: 292.302266
SMILES: CN(CC(=O)N(C)C1=CC=CC=C1)S(=O)(=O)C(F)F
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Product OPENEYE NAME: 2-[difluoromethylsulfonyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CAS Name: 2-[difluoromethylsulfonyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
IUPAC NAME: 2-[difluoromethylsulfonyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[bis(fluoranyl)methylsulfonyl-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C13H18F2N2O3S
MOLECULAR WEIGHT: 320.355426
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CN(C)S(=O)(=O)C(F)F)C
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Product OPENEYE NAME: [(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]ammonium
CAS Name: [(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]ammonium
IUPAC NAME: [(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
SYSTEMATIC NAME: [(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl]azanium
MOLECULAR FORMULA: C14H16Cl2F3N2O2+
MOLECULAR WEIGHT: 372.19025
SMILES: C[NH+](CC(=O)NCC(F)(F)F)[C@@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: 2-[[(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-[[(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C14H15Cl2F3N2O2
MOLECULAR WEIGHT: 371.18231
SMILES: CN(CC(=O)NCC(F)(F)F)[C@@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: [(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]ammonium
CAS Name: [(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]ammonium
IUPAC NAME: [(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
SYSTEMATIC NAME: [(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl]azanium
MOLECULAR FORMULA: C14H16Cl2F3N2O2+
MOLECULAR WEIGHT: 372.19025
SMILES: C[NH+](CC(=O)NCC(F)(F)F)[C@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: 2-[[(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-[[(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C14H15Cl2F3N2O2
MOLECULAR WEIGHT: 371.18231
SMILES: CN(CC(=O)NCC(F)(F)F)[C@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: [(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
CAS Name: [(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
IUPAC NAME: [(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SYSTEMATIC NAME: [(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
MOLECULAR FORMULA: C19H18Cl2N3O2+
MOLECULAR WEIGHT: 391.27112
SMILES: C[NH+](CC1=NN=C(O1)C2=CC=CC=C2)[C@@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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Product OPENEYE NAME: (1S,2S)-4,6-dichloro-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]indan-2-ol
CAS Name: (1S,2S)-4,6-dichloro-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
IUPAC NAME: (1S,2S)-4,6-dichloro-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
SYSTEMATIC NAME: (1S,2S)-4,6-bis(chloranyl)-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
MOLECULAR FORMULA: C19H17Cl2N3O2
MOLECULAR WEIGHT: 390.26318
SMILES: CN(CC1=NN=C(O1)C2=CC=CC=C2)[C@@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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Product OPENEYE NAME: [(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
CAS Name: [(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ammonium
IUPAC NAME: [(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SYSTEMATIC NAME: [(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
MOLECULAR FORMULA: C19H18Cl2N3O2+
MOLECULAR WEIGHT: 391.27112
SMILES: C[NH+](CC1=NN=C(O1)C2=CC=CC=C2)[C@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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Product OPENEYE NAME: (1R,2S)-4,6-dichloro-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]indan-2-ol
CAS Name: (1R,2S)-4,6-dichloro-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
IUPAC NAME: (1R,2S)-4,6-dichloro-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
SYSTEMATIC NAME: (1R,2S)-4,6-bis(chloranyl)-1-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
MOLECULAR FORMULA: C19H17Cl2N3O2
MOLECULAR WEIGHT: 390.26318
SMILES: CN(CC1=NN=C(O1)C2=CC=CC=C2)[C@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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Product OPENEYE NAME: [(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]ammonium
CAS Name: [(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]ammonium
IUPAC NAME: [(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SYSTEMATIC NAME: [(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]azanium
MOLECULAR FORMULA: C16H22Cl2N3O3+
MOLECULAR WEIGHT: 375.27018
SMILES: CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: 2-[[(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[[(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H21Cl2N3O3
MOLECULAR WEIGHT: 374.26224
SMILES: CCCNC(=O)NC(=O)CN(C)[C@@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: [(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]ammonium
CAS Name: [(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]ammonium
IUPAC NAME: [(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SYSTEMATIC NAME: [(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]azanium
MOLECULAR FORMULA: C16H22Cl2N3O3+
MOLECULAR WEIGHT: 375.27018
SMILES: CCCNC(=O)NC(=O)C[NH+](C)[C@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: 2-[[(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[[(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H21Cl2N3O3
MOLECULAR WEIGHT: 374.26224
SMILES: CCCNC(=O)NC(=O)CN(C)[C@H]1[C@H](CC2=C(C=C(C=C12)Cl)Cl)O
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Product OPENEYE NAME: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-[(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-ammonium
CAS Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylammonium
IUPAC NAME: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylazanium
SYSTEMATIC NAME: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-[(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-azanium
MOLECULAR FORMULA: C18H17Cl2N4O2S+
MOLECULAR WEIGHT: 424.32418
SMILES: C[NH+](CC(=O)NC1=CC=CC2=NSN=C21)[C@@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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Product OPENEYE NAME: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1S,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]acetamide
CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
IUPAC NAME: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
SYSTEMATIC NAME: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1S,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]ethanamide
MOLECULAR FORMULA: C18H16Cl2N4O2S
MOLECULAR WEIGHT: 423.31624
SMILES: CN(CC(=O)NC1=CC=CC2=NSN=C21)[C@@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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Product OPENEYE NAME: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-[(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-ammonium
CAS Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylammonium
IUPAC NAME: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylazanium
SYSTEMATIC NAME: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-[(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-azanium
MOLECULAR FORMULA: C18H17Cl2N4O2S+
MOLECULAR WEIGHT: 424.32418
SMILES: C[NH+](CC(=O)NC1=CC=CC2=NSN=C21)[C@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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Product OPENEYE NAME: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1R,2S)-4,6-dichloro-2-hydroxy-indan-1-yl]-methyl-amino]acetamide
CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
IUPAC NAME: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
SYSTEMATIC NAME: N-(2,1,3-benzothiadiazol-4-yl)-2-[[(1R,2S)-4,6-bis(chloranyl)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-methyl-amino]ethanamide
MOLECULAR FORMULA: C18H16Cl2N4O2S
MOLECULAR WEIGHT: 423.31624
SMILES: CN(CC(=O)NC1=CC=CC2=NSN=C21)[C@H]3[C@H](CC4=C(C=C(C=C34)Cl)Cl)O
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