3-(2-carboxyethyl)-5-[phenylsulfonyl(propyl)amino]benzoic acid

Systemtic Name: 3-(2-carboxyethyl)-5-[phenylsulfonyl(propyl)amino]benzoic acid Openeye Name: 3-[benzenesulfonyl(propyl)amino]-5-(2-carboxyethyl)benzoic acid CAS Name: 3-[benzenesulfonyl(propyl)amino]-5-(2-carboxyethyl)benzoic acid IUPAC Name: 3-[benzenesulfonyl(propyl)amino]-5-(2-carboxyethyl)benzoic acid Traditional Name: 3-[besyl(propyl)amino]-5-(2-carboxyethyl)benzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=CC(=C1)CCC(=O)O)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN(C1=CC(=CC(=C1)CCC(=O)O)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO6S/c1-2-10-20(27(25,26)17-6-4-3-5-7-17)16-12-14(8-9-18(21)22)11-15(13-16)19(23)24/h3-7,11-13H,2,8-10H2,1H3,(H,21,22)(H,23,24)