1-[(1-methylimidazol-2-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[(1-methyl-2-imidazolyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C17H21F3N4O2S MolecularWeight: 402.43445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H21F3N4O2S/c1-22-10-7-21-16(22)13-23-8-4-9-24(12-11-23)27(25,26)15-6-3-2-5-14(15)17(18,19)20/h2-3,5-7,10H,4,8-9,11-13H2,1H3