1-methyl-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-methyl-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Formula: C13H17F3N2O3S MolecularWeight: 338.34589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2OC(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2OC(F)(F)F

InChI

InChI=1S/C13H17F3N2O3S/c1-17-7-4-8-18(10-9-17)22(19,20)12-6-3-2-5-11(12)21-13(14,15)16/h2-3,5-6H,4,7-10H2,1H3