3-[4-(phenylsulfonyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-yl]carbonylbenzoate Openeye Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-(4-besylpiperazine-1-carbonyl)benzoate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

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