3,4-dimethyl-5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-[(1-methyl-2-imidazolyl)thio]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[4-[(1-methylimidazol-2-yl)thio]phenyl]sulfamoyl]benzoic acid Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SC3=NC=CN3C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)SC3=NC=CN3C)C

InChI

InChI=1S/C19H19N3O4S2/c1-12-10-14(18(23)24)11-17(13(12)2)28(25,26)21-15-4-6-16(7-5-15)27-19-20-8-9-22(19)3/h4-11,21H,1-3H3,(H,23,24)