methyl 2-[8-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[8-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[8-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[3-(4-cyanobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid methyl ester Formula: C29H24N5O5S+ MolecularWeight: 554.59636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CC(=O)OC)N=C(C1=O)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CC(=O)OC)N=C(C1=O)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H24N5O5S/c1-33-25-13-12-22(16-23(25)31-24(29(33)36)15-19-8-10-20(17-30)11-9-19)32-40(37,38)26-7-3-5-21-6-4-14-34(28(21)26)18-27(35)39-2/h3-14,16,32H,15,18H2,1-2H3/q+1