1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-1,4-diazepane

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-1,4-diazepane Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-1,4-diazepane CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-1,4-diazepane IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-1,4-diazepane Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-methyl-1,4-diazepane Formula: C14H16F6N2O2S MolecularWeight: 390.344459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F6N2O2S/c1-21-3-2-4-22(6-5-21)25(23,24)12-8-10(13(15,16)17)7-11(9-12)14(18,19)20/h7-9H,2-6H2,1H3