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

Systemtic Name: dimethyl 5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[(4-bromophenyl)sulfonylamino]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(brosylamino)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19BrN2O7S MolecularWeight: 499.33236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O7S/c1-28-18(24)12-9-13(19(25)29-2)11-15(10-12)22-17(23)7-8-21-30(26,27)16-5-3-14(20)4-6-16/h3-6,9-11,21H,7-8H2,1-2H3,(H,22,23)