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

Systemtic Name: ethyl 2-[8-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H26N5O5S+ MolecularWeight: 568.62294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)N(C(=O)C(=N4)CC5=CC=C(C=C5)C#N)C

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)N(C(=O)C(=N4)CC5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C30H26N5O5S/c1-3-40-28(36)19-35-15-5-7-22-6-4-8-27(29(22)35)41(38,39)33-23-13-14-26-24(17-23)32-25(30(37)34(26)2)16-20-9-11-21(18-31)12-10-20/h4-15,17,33H,3,16,19H2,1-2H3/q+1