N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]azepane-1-sulfonamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]azepane-1-sulfonamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]azepane-1-sulfonamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-azepanesulfonamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]azepane-1-sulfonamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]azepane-1-sulfonamide Formula: C14H20ClF3N4O2S MolecularWeight: 400.84741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H20ClF3N4O2S/c15-12-9-11(14(16,17)18)10-20-13(12)19-5-6-21-25(23,24)22-7-3-1-2-4-8-22/h9-10,21H,1-8H2,(H,19,20)