(2S)-N-(4-tert-butylphenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(4-tert-butylphenyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(4-tert-butylphenyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-(4-tert-butylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(4-tert-butylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(4-tert-butylphenyl)-4-(methylthio)butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-21(2,3)16-10-12-17(13-11-16)22-20(24)19(14-15-27-4)23-28(25,26)18-8-6-5-7-9-18/h5-13,19,23H,14-15H2,1-4H3,(H,22,24)/t19-/m0/s1