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

Systemtic Name: 6-[4-cyano-5-(cyclopentylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[4-cyano-5-(cyclopentylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[4-cyano-5-(cyclopentylmethoxy)-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 6-[4-cyano-5-(cyclopentylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[4-cyano-5-(cyclopentylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Formula: C16H15F3N4O4S MolecularWeight: 416.37491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C1CCC(C1)COC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C16H15F3N4O4S/c17-16(18,19)14-12(7-20)15(27-9-10-3-1-2-4-10)23(22-14)13-6-5-11(8-21-13)28(24,25)26/h5-6,8,10H,1-4,9H2,(H,24,25,26)