(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-ethylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-ethylphenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-ethylphenyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-ethylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-ethylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-ethylphenyl)-4-(methylthio)butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H28N2O3S2/c1-5-17-7-6-8-18(14-17)22-21(24)19(11-12-27-4)23-28(25,26)20-13-15(2)9-10-16(20)3/h6-10,13-14,19,23H,5,11-12H2,1-4H3,(H,22,24)/t19-/m0/s1