N-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-thiazinan-1-ylidene]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-thiazinan-1-ylidene]-4-methoxy-benzenesulfonamide Openeye Name: N-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-thiazinan-1-ylidene]-4-methoxy-benzenesulfonamide CAS Name: N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-thiazinan-1-ylidene]-4-methoxybenzenesulfonamide IUPAC Name: N-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-thiazinan-1-ylidene]-4-methoxybenzenesulfonamide Traditional Name: N-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-thiazinan-1-ylidene]-4-methoxy-benzenesulfonamide Formula: C17H18ClF3N3O3S2+ MolecularWeight: 468.92133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N=S2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N=S2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C17H17ClF3N3O3S2/c1-27-13-2-4-14(5-3-13)29(25,26)23-28-8-6-24(7-9-28)16-15(18)10-12(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3/p+1