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

Systemtic Name: 4-chloranyl-N-[1-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate Openeye Name: 4-chloro-N-[1-[3-(p-tolylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate CAS Name: 4-chloro-N-[1-[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]-3-pyridin-1-iumyl]benzenecarboximidate IUPAC Name: 4-chloro-N-[1-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate Traditional Name: 4-chloro-N-[1-[3-(tosylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate Formula: C27H20ClN5O3S MolecularWeight: 529.9974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H20ClN5O3S/c1-18-8-14-22(15-9-18)37(35,36)32-25-26(31-24-7-3-2-6-23(24)30-25)33-16-4-5-21(17-33)29-27(34)19-10-12-20(28)13-11-19/h2-17H,1H3,(H-,29,30,32,34)