dimethyl 5-[2-[(4-chlorophenyl)methylsulfonyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-chlorophenyl)methylsulfonyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-chlorophenyl)methylsulfonyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-chlorobenzyl)sulfonylacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18ClNO7S MolecularWeight: 439.86672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C19H18ClNO7S/c1-27-18(23)13-7-14(19(24)28-2)9-16(8-13)21-17(22)11-29(25,26)10-12-3-5-15(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,21,22)