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

Systemtic Name: 4-methoxy-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]-4-methoxy-benzenecarboximidate CAS Name: N-[1-[3-(benzenesulfonamido)-2-quinoxalinyl]-3-pyridin-1-iumyl]-4-methoxybenzenecarboximidate IUPAC Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-4-methoxybenzenecarboximidate Traditional Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-4-methoxy-benzenecarboximidate Formula: C27H21N5O4S MolecularWeight: 511.55174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=NC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H21N5O4S/c1-36-21-15-13-19(14-16-21)27(33)28-20-8-7-17-32(18-20)26-25(29-23-11-5-6-12-24(23)30-26)31-37(34,35)22-9-3-2-4-10-22/h2-18H,1H3,(H-,28,29,31,33)