methyl 2-chloranyl-5-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(3-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(3-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(3-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(=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C

InChI

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