(2S)-N-(3-methylphenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-(m-tolyl)butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-(3-methylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(3-methylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)-N-(m-tolyl)butyramide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S2/c1-14-7-6-8-15(13-14)19-18(21)17(11-12-24-2)20-25(22,23)16-9-4-3-5-10-16/h3-10,13,17,20H,11-12H2,1-2H3,(H,19,21)/t17-/m0/s1