dimethyl 5-[3-(phenylsulfonyl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(phenylsulfonyl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(benzenesulfonyl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(benzenesulfonyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(benzenesulfonyl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(3-besylpropanoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-26-18(22)13-10-14(19(23)27-2)12-15(11-13)20-17(21)8-9-28(24,25)16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,21)