2-methyl-N-[1-[3-(phenylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-4-yl]benzamide

Systemtic Name: 2-methyl-N-[1-[3-(phenylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-4-yl]benzamide Openeye Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-4-yl]-2-methyl-benzamide CAS Name: N-[1-[3-(benzenesulfonamido)-2-quinoxalinyl]-4-pyridin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-4-yl]-2-methylbenzamide Traditional Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-4-yl]-2-methyl-benzamide Formula: C27H22N5O3S+ MolecularWeight: 496.56028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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