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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N(N=C2C3=CC=NC=C3)CC#N)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(N(N=C2C3=CC=NC=C3)CC#N)C(F)(F)F)S(=O)(=O)N

InChI

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