6-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid

Systemtic Name: 6-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid Openeye Name: 6-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid CAS Name: 6-[2-[[4-(2-fluorophenyl)phenyl]methyl]-1-piperazinyl]-1-hexanesulfonic acid IUPAC Name: 6-[2-[[4-(2-fluorophenyl)phenyl]methyl]piperazin-1-yl]hexane-1-sulfonic acid Traditional Name: 6-[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:

C1CN(C(CN1)CC2=CC=C(C=C2)C3=CC=CC=C3F)CCCCCCS(=O)(=O)O

Isomeric SMILES

C1CN(C(CN1)CC2=CC=C(C=C2)C3=CC=CC=C3F)CCCCCCS(=O)(=O)O

InChI

InChI=1S/C23H31FN2O3S/c24-23-8-4-3-7-22(23)20-11-9-19(10-12-20)17-21-18-25-13-15-26(21)14-5-1-2-6-16-30(27,28)29/h3-4,7-12,21,25H,1-2,5-6,13-18H2,(H,27,28,29)