3-[(3-carboxyphenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 3-[(3-carboxyphenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoic acid Openeye Name: 3-[(3-carboxyphenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoic acid CAS Name: 3-[(3-carboxyphenyl)sulfonyl-methylsulfamoyl]-2-methylbenzoic acid IUPAC Name: 3-[(3-carboxyphenyl)sulfonyl-methylsulfamoyl]-2-methylbenzoic acid Traditional Name: 3-[(3-carboxyphenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoic acid Formula: C16H15NO8S2 MolecularWeight: 413.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO8S2/c1-10-13(16(20)21)7-4-8-14(10)27(24,25)17(2)26(22,23)12-6-3-5-11(9-12)15(18)19/h3-9H,1-2H3,(H,18,19)(H,20,21)