dimethyl 5-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-besylpiperazino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O7S/c1-31-21(27)16-12-17(22(28)32-2)14-18(13-16)23-20(26)15-24-8-10-25(11-9-24)33(29,30)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3,(H,23,26)