dimethyl 2-[2-[(4-chlorophenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(4-chlorophenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(4-chloro-N-methylsulfonyl-anilino)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(4-chloro-N-methylsulfonylanilino)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-chloro-N-methylsulfonylanilino)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(4-chloro-N-mesyl-anilino)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H21ClN2O7S/c1-12(23(31(4,27)28)15-8-6-14(21)7-9-15)18(24)22-17-11-13(19(25)29-2)5-10-16(17)20(26)30-3/h5-12H,1-4H3,(H,22,24)