(2S)-N-[(4-dimethylaminophenyl)methyl]-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-[(4-dimethylaminophenyl)methyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-[(4-dimethylaminophenyl)methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-[(4-dimethylaminophenyl)methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-[4-(dimethylamino)benzyl]-4-(methylthio)butyramide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O3S2/c1-23(2)17-11-9-16(10-12-17)15-21-20(24)19(13-14-27-3)22-28(25,26)18-7-5-4-6-8-18/h4-12,19,22H,13-15H2,1-3H3,(H,21,24)/t19-/m0/s1