3-[(3-carboxylatophenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoate

Systemtic Name: 3-[(3-carboxylatophenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoate Openeye Name: 3-[(3-carboxylatophenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoate CAS Name: 3-[(3-carboxylatophenyl)sulfonyl-methylsulfamoyl]-2-methylbenzoate IUPAC Name: 3-[(3-carboxylatophenyl)sulfonyl-methylsulfamoyl]-2-methylbenzoate Traditional Name: 3-[(3-carboxylatophenyl)sulfonyl-methyl-sulfamoyl]-2-methyl-benzoate Formula: C16H13NO8S2-2 MolecularWeight: 411.40632

Click to see the large picture

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)/p-2