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

Systemtic Name: 4-chloranyl-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate Openeye Name: 4-chloro-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate CAS Name: 4-chloro-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]-2-quinoxalinyl]-3-pyridin-1-iumyl]benzenecarboximidate IUPAC Name: 4-chloro-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate Traditional Name: 4-chloro-N-[1-[3-(p-phenetylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate Formula: C28H22ClN5O4S MolecularWeight: 560.02338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=CC(=C4)N=C(C5=CC=C(C=C5)Cl)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=CC(=C4)N=C(C5=CC=C(C=C5)Cl)[O-]

InChI

InChI=1S/C28H22ClN5O4S/c1-2-38-22-13-15-23(16-14-22)39(36,37)33-26-27(32-25-8-4-3-7-24(25)31-26)34-17-5-6-21(18-34)30-28(35)19-9-11-20(29)12-10-19/h3-18H,2H2,1H3,(H-,30,31,33,35)