2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]benzoic acid

Systemtic Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]benzoic acid Openeye Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylmethyl]benzoic acid CAS Name: 2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonylmethyl]benzoic acid IUPAC Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]benzoic acid Traditional Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]sulfonylmethyl]benzoic acid Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H18F3N3O4S/c19-18(20,21)14-5-6-16(22-11-14)23-7-9-24(10-8-23)29(27,28)12-13-3-1-2-4-15(13)17(25)26/h1-6,11H,7-10,12H2,(H,25,26)