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

Systemtic Name: dimethyl 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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

InChI

InChI=1S/C22H26N2O7S/c1-6-19(24(32(5,28)29)16-10-7-14(2)8-11-16)20(25)23-18-13-15(21(26)30-3)9-12-17(18)22(27)31-4/h7-13,19H,6H2,1-5H3,(H,23,25)