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

Systemtic Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butane-1-sulfonic acid Openeye Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butane-1-sulfonic acid CAS Name: 4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-butanesulfonic acid IUPAC Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butane-1-sulfonic acid Traditional Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazino]butane-1-sulfonic acid Formula: C15H21F3N2O3S MolecularWeight: 366.39905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCS(=O)(=O)O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCS(=O)(=O)O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H21F3N2O3S/c16-15(17,18)13-4-3-5-14(12-13)20-9-7-19(8-10-20)6-1-2-11-24(21,22)23/h3-5,12H,1-2,6-11H2,(H,21,22,23)