2-methyl-5-nitro-N-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-(1-pyridin-1-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)benzenesulfonamide Formula: C20H16N5O4S+ MolecularWeight: 422.43714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=CC=C4

InChI

InChI=1S/C20H16N5O4S/c1-14-9-10-15(25(26)27)13-18(14)30(28,29)23-19-20(24-11-5-2-6-12-24)22-17-8-4-3-7-16(17)21-19/h2-13H,1H3,(H,21,23)/q+1