(2S)-N-(4-acetamidophenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(4-acetamidophenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-N-(4-acetamidophenyl)-2-(benzenesulfonamido)-4-methylsulfanyl-butanamide CAS Name: (2S)-N-(4-acetamidophenyl)-2-(benzenesulfonamido)-4-(methylthio)butanamide IUPAC Name: (2S)-N-(4-acetamidophenyl)-2-(benzenesulfonamido)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(4-acetamidophenyl)-2-(benzenesulfonamido)-4-(methylthio)butyramide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O4S2/c1-14(23)20-15-8-10-16(11-9-15)21-19(24)18(12-13-27-2)22-28(25,26)17-6-4-3-5-7-17/h3-11,18,22H,12-13H2,1-2H3,(H,20,23)(H,21,24)/t18-/m0/s1