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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-piperidin-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(1-piperidylsulfonyl)-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(1-piperidinylsulfonyl)-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-piperidin-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-piperidinosulfonyl-1,4-diazepane Formula: C16H22ClF3N4O2S MolecularWeight: 426.88469

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CCCN(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)22-5-4-8-24(10-9-22)27(25,26)23-6-2-1-3-7-23/h11-12H,1-10H2