3-[4-(phenylsulfonyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]benzoic acid Traditional Name: 3-(4-besylpiperazino)benzoic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4S/c20-17(21)14-5-4-6-15(13-14)18-9-11-19(12-10-18)24(22,23)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,20,21)