1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane Openeye Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane CAS Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane Traditional Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane Formula: C17H17BrClF3N3O2S+ MolecularWeight: 499.75299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

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