2-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-ethoxy-N-mesyl-anilino)acetyl]amino]benzoic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O6S/c1-3-26-14-10-8-13(9-11-14)20(27(2,24)25)12-17(21)19-16-7-5-4-6-15(16)18(22)23/h4-11H,3,12H2,1-2H3,(H,19,21)(H,22,23)