3,4-dimethyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(4-mesylphenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C16H17NO6S2 MolecularWeight: 383.43928

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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)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C16H17NO6S2/c1-10-8-12(16(18)19)9-15(11(10)2)25(22,23)17-13-4-6-14(7-5-13)24(3,20)21/h4-9,17H,1-3H3,(H,18,19)