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

Systemtic Name: dimethyl 2-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(3-chloro-N-mesyl-4-methoxy-anilino)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H23ClN2O8S MolecularWeight: 498.93392

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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)OC)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)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN2O8S/c1-12(24(33(5,28)29)14-7-9-18(30-2)16(22)11-14)19(25)23-17-10-13(20(26)31-3)6-8-15(17)21(27)32-4/h6-12H,1-5H3,(H,23,25)