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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(4-bromophenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-brosyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C17H16BrClF3N3O2S MolecularWeight: 498.74505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrClF3N3O2S/c18-13-2-4-14(5-3-13)28(26,27)25-7-1-6-24(8-9-25)16-15(19)10-12(11-23-16)17(20,21)22/h2-5,10-11H,1,6-9H2