2-[(4-ethoxy-4-oxidanylidene-butyl)-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 2-[(4-ethoxy-4-oxidanylidene-butyl)-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-ethoxy-4-keto-butyl)-tosyl-amino]benzoic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H23NO6S/c1-3-27-19(22)9-6-14-21(18-8-5-4-7-17(18)20(23)24)28(25,26)16-12-10-15(2)11-13-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,23,24)