2-chloranyl-N-[1-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-4-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-4-yl]benzamide Openeye Name: 2-chloro-N-[1-[3-(p-tolylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-4-yl]benzamide CAS Name: 2-chloro-N-[1-[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]-4-pyridin-1-iumyl]benzamide IUPAC Name: 2-chloro-N-[1-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-4-yl]benzamide Traditional Name: 2-chloro-N-[1-[3-(tosylamino)quinoxalin-2-yl]pyridin-1-ium-4-yl]benzamide Formula: C27H21ClN5O3S+ MolecularWeight: 531.00534

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=C2[N+]4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H20ClN5O3S/c1-18-10-12-20(13-11-18)37(35,36)32-25-26(31-24-9-5-4-8-23(24)30-25)33-16-14-19(15-17-33)29-27(34)21-6-2-3-7-22(21)28/h2-17H,1H3,(H,30,32)/p+1