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

Systemtic Name: methyl 4-chloranyl-3-[2-[(2-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(2-ethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(2-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(2-ethyl-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O5S/c1-4-13-7-5-6-8-17(13)22(28(3,25)26)12-18(23)21-16-11-14(19(24)27-2)9-10-15(16)20/h5-11H,4,12H2,1-3H3,(H,21,23)