2-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 2-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[carboxymethyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[carboxymethyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[carboxymethyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[carboxymethyl(tosyl)amino]benzoic acid Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO6S/c1-11-6-8-12(9-7-11)24(22,23)17(10-15(18)19)14-5-3-2-4-13(14)16(20)21/h2-9H,10H2,1H3,(H,18,19)(H,20,21)