[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-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=C(C=CC(=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)C

InChI

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