N-[1-(cyanomethyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: N-[1-(cyanomethyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: N-[1-(cyanomethyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: N-[1-(cyanomethyl)-4-pyridin-4-yl-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: N-[1-(cyanomethyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: N-[1-(cyanomethyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C17H12F3N5O2S MolecularWeight: 407.36969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2C3=CC=NC=C3)C(F)(F)F)CC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2C3=CC=NC=C3)C(F)(F)F)CC#N

InChI

InChI=1S/C17H12F3N5O2S/c18-17(19,20)15-14(12-6-9-22-10-7-12)16(23-25(15)11-8-21)24-28(26,27)13-4-2-1-3-5-13/h1-7,9-10H,11H2,(H,23,24)