3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-(4-benzoylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 3-[(4-benzoyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 3-(4-benzoylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(4-benzoylpiperazino)sulfonylbenzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O5S/c21-17(14-5-2-1-3-6-14)19-9-11-20(12-10-19)26(24,25)16-8-4-7-15(13-16)18(22)23/h1-8,13H,9-12H2,(H,22,23)