dimethyl 2-[3-(phenylsulfonylamino)propanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[3-(phenylsulfonylamino)propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[3-(benzenesulfonamido)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[3-(benzenesulfonamido)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(benzenesulfonamido)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[3-(benzenesulfonamido)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O7S/c1-27-18(23)13-8-9-15(19(24)28-2)16(12-13)21-17(22)10-11-20-29(25,26)14-6-4-3-5-7-14/h3-9,12,20H,10-11H2,1-2H3,(H,21,22)