dimethyl 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H18ClFN2O7S MolecularWeight: 472.871823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H18ClFN2O7S/c1-29-18(25)11-4-6-13(19(26)30-2)16(8-11)22-17(24)10-23(31(3,27)28)12-5-7-15(21)14(20)9-12/h4-9H,10H2,1-3H3,(H,22,24)