Product OPENEYE NAME: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(azepan-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CAS Name: 1-(1-azepanyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone
IUPAC NAME: 1-(azepan-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(azepan-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3
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Product OPENEYE NAME: 1-(azepan-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CAS Name: 1-(1-azepanyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone
IUPAC NAME: 1-(azepan-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-(azepan-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3
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Product OPENEYE NAME: (E)-3-(2-fluorophenyl)-N-(4-fluorophenyl)prop-2-enamide
CAS Name: (E)-3-(2-fluorophenyl)-N-(4-fluorophenyl)-2-propenamide
IUPAC NAME: (E)-3-(2-fluorophenyl)-N-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-fluorophenyl)-N-(4-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C15H11F2NO
MOLECULAR WEIGHT: 259.250746
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)NC2=CC=C(C=C2)F)F
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide
CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[[(2R)-2-oxolanyl]methyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H27N3O3S2
MOLECULAR WEIGHT: 397.55528
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC[C@H]3CCCO3
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Product OPENEYE NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-thienyl)prop-2-enamide
CAS Name: (E)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-thiophen-2-yl-2-propenamide
IUPAC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-thiophen-2-ylprop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-thiophen-2-yl-prop-2-enamide
MOLECULAR FORMULA: C16H16FNOS2
MOLECULAR WEIGHT: 321.432743
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)/C=C/C2=CC=CS2)F
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-2-oxanyl]methyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C20H33N3O2+2
MOLECULAR WEIGHT: 347.49492
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)C[C@H]3CCCCO3
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-2-oxanyl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H31N3O2
MOLECULAR WEIGHT: 345.47904
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C[C@H]3CCCCO3
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Product OPENEYE NAME: N-cyclopropyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-cyclopropyl-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-cyclopropyl-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-cyclopropyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C16H23N3O2S2
MOLECULAR WEIGHT: 353.50272
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3
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Product OPENEYE NAME: N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-methyl-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: (2-chloro-6-fluoro-phenyl)methyl (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid (2-chloro-6-fluorophenyl)methyl ester
IUPAC NAME: (2-chloro-6-fluorophenyl)methyl (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: (2-chloranyl-6-fluoranyl-phenyl)methyl (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C14H19ClFNO4S
MOLECULAR WEIGHT: 351.821363
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=C(C=CC=C1Cl)F
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C22H31N3O2+2
MOLECULAR WEIGHT: 369.50044
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H29N3O2
MOLECULAR WEIGHT: 367.48456
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)OC
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Product OPENEYE NAME: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[methyl-[(E)-styryl]sulfonyl-amino]acetamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]ethanamide
MOLECULAR FORMULA: C20H23FN2O3S2
MOLECULAR WEIGHT: 422.536623
SMILES: CN(CC(=O)NCCSCC1=CC=CC=C1F)S(=O)(=O)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: (E)-N-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CAS Name: (E)-N-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-2-propenamide
IUPAC NAME: (E)-N-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C16H11F4NO
MOLECULAR WEIGHT: 309.258253
SMILES: C1=CC(=CC=C1/C=C/C(=O)NC2=CC=C(C=C2)F)C(F)(F)F
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H27N3O2S3
MOLECULAR WEIGHT: 401.61018
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC
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Product OPENEYE NAME: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CAS Name: 3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
MOLECULAR FORMULA: C15H22N3O2S+
MOLECULAR WEIGHT: 308.41908
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCC#N
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Product OPENEYE NAME: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CAS Name: 3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]propanenitrile
IUPAC NAME: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C15H21N3O2S
MOLECULAR WEIGHT: 307.41114
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCC#N
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