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

Systemtic Name: 2-[2-[(4-ethoxy-2-methylsulfonyl-phenyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-ethoxy-2-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-ethoxy-2-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-ethoxy-2-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-ethoxy-2-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)NCC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

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

InChI

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