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

Systemtic Name: ethyl 2-[8-[[2-[(4-cyanophenyl)amino]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[8-[[2-(4-cyanoanilino)-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-(4-cyanoanilino)-1-methyl-5-benzimidazolyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[[2-(4-cyanoanilino)-1-methylbenzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-(4-cyanoanilino)-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid ethyl ester Formula: C28H25N6O4S+ MolecularWeight: 541.6009

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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(=N4)NC5=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(=N4)NC5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C28H25N6O4S/c1-3-38-26(35)18-34-15-5-7-20-6-4-8-25(27(20)34)39(36,37)32-22-13-14-24-23(16-22)31-28(33(24)2)30-21-11-9-19(17-29)10-12-21/h4-16,32H,3,18H2,1-2H3,(H,30,31)/q+1