ethyl 3-chloranyl-4-[2-[(4-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C)Cl

InChI

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