2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxycarbonyl]benzoic acid

Systemtic Name: 2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxycarbonyl]benzoic acid Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethoxycarbonyl]benzoic acid CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethoxycarbonyl]benzoic acid Traditional Name: 2-[2-(4-besylpiperazino)ethoxycarbonyl]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c23-19(24)17-8-4-5-9-18(17)20(25)28-15-14-21-10-12-22(13-11-21)29(26,27)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,24)