1-cyano-3-pyridin-4-yl-2-[[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]guanidine

Systemtic Name: 1-cyano-3-pyridin-4-yl-2-[[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]guanidine Openeye Name: 1-cyano-3-(4-pyridyl)-2-[[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]guanidine CAS Name: 1-cyano-3-pyridin-4-yl-2-[[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]guanidine IUPAC Name: 1-cyano-3-pyridin-4-yl-2-[[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]guanidine Traditional Name: 1-cyano-3-(4-pyridyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzyl]guanidine Formula: C21H17F3N6O2S MolecularWeight: 474.45889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)CN=C(NC#N)NC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)CN=C(NC#N)NC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N6O2S/c22-21(23,24)16-2-1-3-19(12-16)33(31,32)30-18-6-4-15(5-7-18)13-27-20(28-14-25)29-17-8-10-26-11-9-17/h1-12,30H,13H2,(H2,26,27,28,29)