1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C17H17ClF3N3O2S MolecularWeight: 419.84899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClF3N3O2S/c18-13-4-6-14(7-5-13)27(25,26)24-10-2-9-23(11-12-24)16-15(17(19,20)21)3-1-8-22-16/h1,3-8H,2,9-12H2