[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-sulfamoyl-benzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C22H19ClN2O5S2 MolecularWeight: 490.97966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C22H19ClN2O5S2/c1-14-6-7-15(12-20(14)32(24,28)29)22(27)30-13-21(26)25-18-4-2-3-5-19(18)31-17-10-8-16(23)9-11-17/h2-12H,13H2,1H3,(H,25,26)(H2,24,28,29)