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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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