1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-methylsulfonyl-1,4-diazepane

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-methylsulfonyl-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-mesyl-1,4-diazepane Formula: C12H15ClF3N3O2S MolecularWeight: 357.77961

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C12H15ClF3N3O2S/c1-22(20,21)19-4-2-3-18(5-6-19)11-10(13)7-9(8-17-11)12(14,15)16/h7-8H,2-6H2,1H3