dimethyl 5-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(p-tolylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(tosylamino)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-13-4-6-17(7-5-13)30(26,27)21-9-8-18(23)22-16-11-14(19(24)28-2)10-15(12-16)20(25)29-3/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,23)