6-[4-cyano-5-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid

Systemtic Name: 6-[4-cyano-5-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[4-cyano-5-(3,5-dimethyl-1-piperidyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[4-cyano-5-(3,5-dimethyl-1-piperidinyl)-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 6-[4-cyano-5-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[4-cyano-5-(3,5-dimethylpiperidino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Formula: C17H18F3N5O3S MolecularWeight: 429.41673

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N)C

InChI

InChI=1S/C17H18F3N5O3S/c1-10-5-11(2)9-24(8-10)16-13(6-21)15(17(18,19)20)23-25(16)14-4-3-12(7-22-14)29(26,27)28/h3-4,7,10-11H,5,8-9H2,1-2H3,(H,26,27,28)