2-[2-[[2-ethoxy-3-(4-methylphenyl)sulfonyl-phenyl]amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[[2-ethoxy-3-(4-methylphenyl)sulfonyl-phenyl]amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[2-ethoxy-3-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-(2-ethoxy-3-tosyl-anilino)acetyl]amino]benzoic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1S(=O)(=O)C2=CC=C(C=C2)C)NCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=C(C=CC=C1S(=O)(=O)C2=CC=C(C=C2)C)NCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H24N2O6S/c1-3-32-23-20(25-15-22(27)26-19-8-5-4-7-18(19)24(28)29)9-6-10-21(23)33(30,31)17-13-11-16(2)12-14-17/h4-14,25H,3,15H2,1-2H3,(H,26,27)(H,28,29)