methyl 4-chloranyl-3-[2-[(2-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(2-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(2-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(2-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(2-ethoxy-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O6S/c1-4-28-17-8-6-5-7-16(17)22(29(3,25)26)12-18(23)21-15-11-13(19(24)27-2)9-10-14(15)20/h5-11H,4,12H2,1-3H3,(H,21,23)