4-methyl-N-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C25H22N5O2S+ MolecularWeight: 456.53948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N5O2S/c1-19-11-13-21(14-12-19)33(31,32)28-24-25(27-23-10-6-5-9-22(23)26-24)30-16-15-29(18-30)17-20-7-3-2-4-8-20/h2-16,18H,17H2,1H3,(H,26,28)/q+1