(2S)-3-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-3-methyl-N-[2-(p-tolylmethylsulfanyl)ethyl]butanamide CAS Name: (2S)-2-(benzenesulfonamido)-3-methyl-N-[2-[(4-methylphenyl)methylthio]ethyl]butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-3-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-N-[2-[(4-methylbenzyl)thio]ethyl]butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-16(2)20(23-28(25,26)19-7-5-4-6-8-19)21(24)22-13-14-27-15-18-11-9-17(3)10-12-18/h4-12,16,20,23H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1