4-chloranyl-N-[3-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-[4-(1-cyclohex-3-enyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C25H22ClN4O2S+ MolecularWeight: 477.98578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(CC=C1)C2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN4O2S/c26-20-10-12-21(13-11-20)33(31,32)29-24-25(28-23-9-5-4-8-22(23)27-24)30-16-14-19(15-17-30)18-6-2-1-3-7-18/h1-2,4-5,8-18H,3,6-7H2,(H,27,29)/q+1