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

Systemtic Name: dimethyl 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O7S/c1-7-20(25(33(6,29)30)17-10-8-14(2)15(3)12-17)21(26)24-19-13-16(22(27)31-4)9-11-18(19)23(28)32-5/h8-13,20H,7H2,1-6H3,(H,24,26)