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MOLECULAR FORMULA: C15H12INO2
MOLECULAR WEIGHT: 365.16575
SMILES: C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4I
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MOLECULAR FORMULA: C15H12ClNO3
MOLECULAR WEIGHT: 289.71368
SMILES: CC1=C(C=C(C=C1)Cl)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)O4
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MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C45CC5
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MOLECULAR FORMULA: C19H19NO6
MOLECULAR WEIGHT: 357.35726
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)N2C(=O)[C@H]3[C@H]4C=C[C@]([C@H]3C2=O)(O4)CO
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MOLECULAR FORMULA: C16H11ClF3NO4
MOLECULAR WEIGHT: 373.71105
SMILES: C1=C[C@@]2([C@@H]3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F)CO
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MOLECULAR FORMULA: C14H10BrNO3
MOLECULAR WEIGHT: 320.1381
SMILES: C1=CC(=CC(=C1)Br)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)O4
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MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H]4C=C[C@@]([C@@H]3C2=O)(O4)CO
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MOLECULAR FORMULA: C17H17NO4
MOLECULAR WEIGHT: 299.32118
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H]4C=C[C@@]([C@@H]3C2=O)(O4)CO)C
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MOLECULAR FORMULA: C19H16ClNO7
MOLECULAR WEIGHT: 405.78584
SMILES: CC(=O)OC([C@@]12C=C[C@H](O1)[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4Cl)OC(=O)C
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MOLECULAR FORMULA: C16H12N2O3
MOLECULAR WEIGHT: 280.27808
SMILES: C[C@@]12C=C[C@H](O1)[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C#N
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Product OPENEYE NAME: 2-[3-methyl-N-(p-tolylsulfonyl)anilino]-N-[(1R,2R,4R)-norbornan-2-yl]acetamide
CAS Name: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
IUPAC NAME: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SYSTEMATIC NAME: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide
MOLECULAR FORMULA: C23H28N2O3S
MOLECULAR WEIGHT: 412.54502
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)C4=CC=CC(=C4)C
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Product OPENEYE NAME: (1R,4R)-7,7-dimethyl-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]norbornan-2-one
CAS Name: (1R,4R)-7,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanone
IUPAC NAME: (1R,4R)-7,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1R,4R)-7,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C21H27F3N2O3S
MOLECULAR WEIGHT: 444.51089
SMILES: CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C
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Product OPENEYE NAME: (1S,4S)-7,7-dimethyl-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]norbornan-2-one
CAS Name: (1S,4S)-7,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanone
IUPAC NAME: (1S,4S)-7,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1S,4S)-7,7-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C21H27F3N2O3S
MOLECULAR WEIGHT: 444.51089
SMILES: CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C
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Product OPENEYE NAME: 2-[N-(benzenesulfonyl)-2,4-dichloro-anilino]-N-[(1R,2R,4R)-norbornan-2-yl]acetamide
CAS Name: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]acetamide
IUPAC NAME: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]acetamide
SYSTEMATIC NAME: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-[(2,4-dichlorophenyl)-(phenylsulfonyl)amino]ethanamide
MOLECULAR FORMULA: C21H22Cl2N2O3S
MOLECULAR WEIGHT: 453.38198
SMILES: C1C[C@@H]2C[C@@H]1C[C@H]2NC(=O)CN(C3=C(C=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4
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MOLECULAR FORMULA: C21H32O6
MOLECULAR WEIGHT: 380.47518
SMILES: CC(=O)O[C@H]1C[C@]23[C@H](CC[C@@H](O2)[C@@H](O3)C(=O)OC)[C@]4([C@@H]1C(CCC4)(C)C)C
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Product OPENEYE NAME: (1S,4S)-1-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one
CAS Name: (1S,4S)-4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonylmethyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone
IUPAC NAME: (1S,4S)-4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1S,4S)-4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C20H27FN2O3S
MOLECULAR WEIGHT: 394.503383
SMILES: CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)C
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Product OPENEYE NAME: (1R,4R)-1-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one
CAS Name: (1R,4R)-4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonylmethyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone
IUPAC NAME: (1R,4R)-4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1R,4R)-4-[[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C20H27FN2O3S
MOLECULAR WEIGHT: 394.503383
SMILES: CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)C
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MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: C1COCCN1C(=O)[C@H](CC2=CC=CC=C2)N3C(=O)[C@@H]4[C@H]5C[C@H]([C@@H]4C3=O)C=C5
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MOLECULAR FORMULA: C15H11NO5
MOLECULAR WEIGHT: 285.25154
SMILES: C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]4C3=O)O5
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Product OPENEYE NAME: 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethyl-anilino)-N-[(1S,2S,4S)-norbornan-2-yl]acetamide
CAS Name: N-[(1S,3S,4S)-3-bicyclo[2.2.1]heptanyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
IUPAC NAME: N-[(1S,3S,4S)-3-bicyclo[2.2.1]heptanyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
SYSTEMATIC NAME: N-[(1S,3S,4S)-3-bicyclo[2.2.1]heptanyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(3,5-dimethylphenyl)amino]ethanamide
MOLECULAR FORMULA: C25H32N2O5S
MOLECULAR WEIGHT: 472.59698
SMILES: CC1=CC(=CC(=C1)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C
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MOLECULAR FORMULA: C17H10Cl4N2
MOLECULAR WEIGHT: 384.0867
SMILES: C1[C@@H]2[C@H]1[C@@H]3[C@H]2C4(C(=C(C3(C5=NC6=CC=CC=C6N=C54)Cl)Cl)Cl)Cl
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MOLECULAR FORMULA: C26H19NO4
MOLECULAR WEIGHT: 409.43336
SMILES: C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC6=CC=CC=C6C=C5
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MOLECULAR FORMULA: C15H12ClNO4
MOLECULAR WEIGHT: 305.71308
SMILES: C1=CC(=CC(=C1)Cl)N2C(=O)[C@@H]3[C@H]4C=C[C@]([C@@H]3C2=O)(O4)CO
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MOLECULAR FORMULA: C25H30N2O
MOLECULAR WEIGHT: 374.5185
SMILES: CC(C)(C)NC(=O)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2[C@@H]4CC[C@@H]3C4)C5=CC=CC=C5
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