(2S)-N-(3-chloranyl-4-methyl-phenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(3-chloro-4-methyl-phenyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(3-chloro-4-methyl-phenyl)-4-(methylthio)butyramide Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3S2/c1-13-8-9-14(12-16(13)19)20-18(22)17(10-11-25-2)21-26(23,24)15-6-4-3-5-7-15/h3-9,12,17,21H,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1