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

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane Formula: C16H16F4N4O2S MolecularWeight: 404.382453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F4N4O2S/c17-12-2-4-13(5-3-12)27(25,26)24-9-1-8-23(10-11-24)15-21-7-6-14(22-15)16(18,19)20/h2-7H,1,8-11H2