(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2R)-5-methylhexan-2-yl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2R)-5-methylhexan-2-yl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1,4-dimethylpentyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2R)-5-methylhexan-2-yl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2R)-5-methylhexan-2-yl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1,4-dimethylpentyl]-4-(methylthio)butyramide Formula: C18H29ClN2O3S2 MolecularWeight: 421.01746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O3S2/c1-13(2)5-6-14(3)20-18(22)17(11-12-25-4)21-26(23,24)16-9-7-15(19)8-10-16/h7-10,13-14,17,21H,5-6,11-12H2,1-4H3,(H,20,22)/t14-,17+/m1/s1