dimethyl 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C)C

InChI

InChI=1S/C22H26N2O7S/c1-13-9-14(2)11-17(10-13)24(32(6,28)29)15(3)20(25)23-19-12-16(21(26)30-4)7-8-18(19)22(27)31-5/h7-12,15H,1-6H3,(H,23,25)