1-(3-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane

Systemtic Name: 1-(3-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Openeye Name: 1-(m-tolylsulfonyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane CAS Name: 1-(3-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(3-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Traditional Name: 1-(m-tolylsulfonyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Formula: C17H19F3N4O2S MolecularWeight: 400.41857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2S/c1-13-4-2-5-14(12-13)27(25,26)24-9-3-8-23(10-11-24)16-21-7-6-15(22-16)17(18,19)20/h2,4-7,12H,3,8-11H2,1H3