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

Systemtic Name: methyl 2-[8-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[8-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-[(4-cyanophenoxy)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-[[2-[(4-cyanophenoxy)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid methyl ester Formula: C28H24N5O5S+ MolecularWeight: 542.58566

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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=C1COC5=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=C1COC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H24N5O5S/c1-32-24-13-10-21(15-23(24)30-26(32)18-38-22-11-8-19(16-29)9-12-22)31-39(35,36)25-7-3-5-20-6-4-14-33(28(20)25)17-27(34)37-2/h3-15,31H,17-18H2,1-2H3/q+1