1-(6-chloranylpyridin-3-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(6-chloranylpyridin-3-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(6-chloropyridin-3-yl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[(6-chloro-3-pyridyl)sulfonyl]-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C16H16ClF3N4O2S MolecularWeight: 420.83705

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CN=C(C=C2)Cl)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CN=C(C=C2)Cl)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H16ClF3N4O2S/c17-14-4-3-13(11-21-14)27(25,26)24-7-1-6-23(8-9-24)15-5-2-12(10-22-15)16(18,19)20/h2-5,10-11H,1,6-9H2