2-[4-cyano-5-(piperidin-1-ylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid

Systemtic Name: 2-[4-cyano-5-(piperidin-1-ylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 2-[4-cyano-5-(1-piperidylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 2-[4-cyano-5-(1-piperidinylamino)-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 2-[4-cyano-5-(piperidin-1-ylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 2-[4-cyano-5-(piperidinoamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Formula: C15H15F3N6O3S MolecularWeight: 416.37821

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC2=C(C(=NN2C3=C(C=CC=N3)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C1CCN(CC1)NC2=C(C(=NN2C3=C(C=CC=N3)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C15H15F3N6O3S/c16-15(17,18)12-10(9-19)13(22-23-7-2-1-3-8-23)24(21-12)14-11(28(25,26)27)5-4-6-20-14/h4-6,22H,1-3,7-8H2,(H,25,26,27)