[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S2/c1-14-6-8-17(9-7-14)27-11-10-20-18(22)13-26-19(23)15-4-3-5-16(12-15)21-28(2,24)25/h3-9,12,21H,10-11,13H2,1-2H3,(H,20,22)