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

Systemtic Name: dimethyl 5-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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