2-[[4-[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H21N3O6S2/c1-14(21(27)25-16-8-12-18(13-9-16)34(24,31)32)33-17-10-6-15(7-11-17)26-22(28)19-4-2-3-5-20(19)23(29)30/h2-14H,1H3,(H,25,27)(H,26,28)(H,29,30)(H2,24,31,32)