1-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid

Systemtic Name: 1-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid Openeye Name: 1-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid CAS Name: 1-[2-[[4-(2-fluorophenyl)phenyl]methyl]-1-piperazinyl]-1-hexanesulfonic acid IUPAC Name: 1-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid Traditional Name: 1-[2-[4-(2-fluorophenyl)benzyl]piperazino]hexane-1-sulfonic acid Formula: C23H31FN2O3S MolecularWeight: 434.567243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1CCNCC1CC2=CC=C(C=C2)C3=CC=CC=C3F)S(=O)(=O)O

Isomeric SMILES

CCCCCC(N1CCNCC1CC2=CC=C(C=C2)C3=CC=CC=C3F)S(=O)(=O)O

InChI

InChI=1S/C23H31FN2O3S/c1-2-3-4-9-23(30(27,28)29)26-15-14-25-17-20(26)16-18-10-12-19(13-11-18)21-7-5-6-8-22(21)24/h5-8,10-13,20,23,25H,2-4,9,14-17H2,1H3,(H,27,28,29)