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

Systemtic Name: 2-[2-carboxyethyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[2-carboxyethyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[2-carboxyethyl(tosyl)amino]benzoic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6S/c1-12-6-8-13(9-7-12)25(23,24)18(11-10-16(19)20)15-5-3-2-4-14(15)17(21)22/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22)