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

Systemtic Name: 3-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-[(1-methyl-2-imidazolyl)thio]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-[(1-methylimidazol-2-yl)thio]phenyl]sulfamoyl]benzoic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15N3O4S2/c1-20-10-9-18-17(20)25-14-7-5-13(6-8-14)19-26(23,24)15-4-2-3-12(11-15)16(21)22/h2-11,19H,1H3,(H,21,22)