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

Systemtic Name: 2-[4-fluoranyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-fluoro-phenoxy]acetic acid CAS Name: 2-[2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-4-fluorophenoxy]acetic acid IUPAC Name: 2-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-fluorophenoxy]acetic acid Traditional Name: 2-[2-[(4-besylpiperazino)methyl]-4-fluoro-phenoxy]acetic acid Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)F)OCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)F)OCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21FN2O5S/c20-16-6-7-18(27-14-19(23)24)15(12-16)13-21-8-10-22(11-9-21)28(25,26)17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2,(H,23,24)