(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(p-tolylmethyl)butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methylbenzyl)-4-(methylthio)butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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