[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butyric acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN2O5S2/c1-14-4-5-15(2)19(12-14)23-20(25)13-29-21(26)18(10-11-30-3)24-31(27,28)17-8-6-16(22)7-9-17/h4-9,12,18,24H,10-11,13H2,1-3H3,(H,23,25)