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

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Openeye Name: 1-(3-bromophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane CAS Name: 1-(3-bromophenyl)sulfonyl-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Traditional Name: 1-(3-bromophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Formula: C16H16BrF3N4O2S MolecularWeight: 465.28805

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Br)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Br)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C16H16BrF3N4O2S/c17-12-3-1-4-13(11-12)27(25,26)24-8-2-7-23(9-10-24)15-21-6-5-14(22-15)16(18,19)20/h1,3-6,11H,2,7-10H2