2-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[4-[4-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 2-[[4-[4-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[4-[4-(trifluoromethyl)-2-pyridyl]piperazino]sulfonylbenzoic acid Formula: C17H16F3N3O4S MolecularWeight: 415.38685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H16F3N3O4S/c18-17(19,20)12-5-6-21-15(11-12)22-7-9-23(10-8-22)28(26,27)14-4-2-1-3-13(14)16(24)25/h1-6,11H,7-10H2,(H,24,25)