methyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid methyl ester Formula: C28H24N5O4S+ MolecularWeight: 526.58626

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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=C1CC5=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=C1CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H24N5O4S/c1-32-24-13-12-22(16-23(24)30-26(32)15-19-8-10-20(17-29)11-9-19)31-38(35,36)25-7-3-5-21-6-4-14-33(28(21)25)18-27(34)37-2/h3-14,16,31H,15,18H2,1-2H3/q+1