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

Systemtic Name: methyl 4-chloranyl-3-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6S/c1-12(23)13-5-4-6-15(9-13)22(29(3,26)27)11-18(24)21-17-10-14(19(25)28-2)7-8-16(17)20/h4-10H,11H2,1-3H3,(H,21,24)