1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]sulfonylazepane Formula: C16H22ClF3N4O2S MolecularWeight: 426.88469

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H22ClF3N4O2S/c17-14-11-13(16(18,19)20)12-21-15(14)22-7-9-24(10-8-22)27(25,26)23-5-3-1-2-4-6-23/h11-12H,1-10H2