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

Systemtic Name: 4-chloranyl-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzamide Openeye Name: 4-chloro-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzamide CAS Name: 4-chloro-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]-2-quinoxalinyl]-3-pyridin-1-iumyl]benzamide IUPAC Name: 4-chloro-N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzamide Traditional Name: 4-chloro-N-[1-[3-(p-phenetylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]benzamide Formula: C28H23ClN5O4S+ MolecularWeight: 561.03132

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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)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

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

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)/p+1