3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid

Systemtic Name: 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Openeye Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid CAS Name: 3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]sulfonyl-2-thenoic acid Formula: C15H13ClF3N3O4S2 MolecularWeight: 455.85963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=C(SC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=C(SC=C3)C(=O)O

InChI

InChI=1S/C15H13ClF3N3O4S2/c16-10-7-9(15(17,18)19)8-20-13(10)21-2-4-22(5-3-21)28(25,26)11-1-6-27-12(11)14(23)24/h1,6-8H,2-5H2,(H,23,24)