3,4-dimethyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(2-phenylthiazol-4-yl)methylsulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[(2-phenyl-4-thiazolyl)methylsulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(2-phenylthiazol-4-yl)methylsulfamoyl]benzoic acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CSC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CSC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H18N2O4S2/c1-12-8-15(19(22)23)9-17(13(12)2)27(24,25)20-10-16-11-26-18(21-16)14-6-4-3-5-7-14/h3-9,11,20H,10H2,1-2H3,(H,22,23)