3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[2-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[2-(trifluoromethyl)phenyl]piperazino]propane-1-sulfonic acid Formula: C14H19F3N2O3S MolecularWeight: 352.37247

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H19F3N2O3S/c15-14(16,17)12-4-1-2-5-13(12)19-9-7-18(8-10-19)6-3-11-23(20,21)22/h1-2,4-5H,3,6-11H2,(H,20,21,22)