4-[[4-(2-carboxyethyl)phenyl]sulfonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[4-(2-carboxyethyl)phenyl]sulfonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-(2-carboxyethyl)phenyl]sulfonylamino]-3-methyl-benzoic acid CAS Name: 4-[[4-(2-carboxyethyl)phenyl]sulfonylamino]-3-methylbenzoic acid IUPAC Name: 4-[[4-(2-carboxyethyl)phenyl]sulfonylamino]-3-methylbenzoic acid Traditional Name: 4-[[4-(2-carboxyethyl)phenyl]sulfonylamino]-3-methyl-benzoic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

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