2-[(4-cyanophenyl)methylsulfanyl]-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O4S2/c21-12-15-3-5-16(6-4-15)13-28-14-20(25)22-18-11-17(7-8-19(18)24)29(26,27)23-9-1-2-10-23/h3-8,11,24H,1-2,9-10,13-14H2,(H,22,25)