2-[4-chloranyl-2-[4-(phenylsulfonyl)piperazin-1-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[4-(phenylsulfonyl)piperazin-1-yl]phenoxy]ethanoic acid Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-chloro-phenoxy]acetic acid CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-4-chlorophenoxy]acetic acid IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-chlorophenoxy]acetic acid Traditional Name: 2-[2-(4-besylpiperazino)-4-chloro-phenoxy]acetic acid Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c19-14-6-7-17(26-13-18(22)23)16(12-14)20-8-10-21(11-9-20)27(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)