2-methyl-N-[1-[3-(phenylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate

Systemtic Name: 2-methyl-N-[1-[3-(phenylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenecarboximidate Openeye Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-2-methyl-benzenecarboximidate CAS Name: N-[1-[3-(benzenesulfonamido)-2-quinoxalinyl]-3-pyridin-1-iumyl]-2-methylbenzenecarboximidate IUPAC Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-2-methylbenzenecarboximidate Traditional Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-2-methyl-benzenecarboximidate Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=NC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=NC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H21N5O3S/c1-19-10-5-6-14-22(19)27(33)28-20-11-9-17-32(18-20)26-25(29-23-15-7-8-16-24(23)30-26)31-36(34,35)21-12-3-2-4-13-21/h2-18H,1H3,(H-,28,29,31,33)