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

Systemtic Name: dimethyl 2-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(4-methoxy-N-methylsulfonyl-anilino)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(N-mesyl-4-methoxy-anilino)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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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)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)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O8S/c1-13(23(32(5,27)28)15-7-9-16(29-2)10-8-15)19(24)22-18-12-14(20(25)30-3)6-11-17(18)21(26)31-4/h6-13H,1-5H3,(H,22,24)