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

Systemtic Name: 3,4-dimethyl-5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylsulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-(2-methylthiazol-4-yl)phenyl]methylsulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-(2-methyl-4-thiazolyl)phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylsulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[4-(2-methylthiazol-4-yl)benzyl]sulfamoyl]benzoic acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)C3=CSC(=N3)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)C3=CSC(=N3)C)C

InChI

InChI=1S/C20H20N2O4S2/c1-12-8-17(20(23)24)9-19(13(12)2)28(25,26)21-10-15-4-6-16(7-5-15)18-11-27-14(3)22-18/h4-9,11,21H,10H2,1-3H3,(H,23,24)