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

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 4-(4-besylpiperazine-1-carbonyl)benzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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