2-[(3S,5R)-4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(2-methyl-5-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-[(3S,5R)-4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(2-methyl-5-oxidanyl-phenyl)ethanamide Openeye Name: 2-[(3S,5R)-4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(5-hydroxy-2-methyl-phenyl)acetamide CAS Name: 2-[(3S,5R)-4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-(5-hydroxy-2-methylphenyl)acetamide IUPAC Name: 2-[(3S,5R)-4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-(5-hydroxy-2-methylphenyl)acetamide Traditional Name: 2-[(3S,5R)-4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-(5-hydroxy-2-methyl-phenyl)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=C(C=CC(=C3)O)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=C(C=CC(=C3)O)C

InChI

InChI=1S/C22H26N4O4S/c1-15-7-8-19(27)10-21(15)24-22(28)14-25-12-16(2)26(17(3)13-25)31(29,30)20-6-4-5-18(9-20)11-23/h4-10,16-17,27H,12-14H2,1-3H3,(H,24,28)/t16-,17+