ethyl 3-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]propanoate CAS Name: 3-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]-1-quinolin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[8-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]propanoate Traditional Name: 3-[8-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]propionic acid ethyl ester Formula: C30H28N5O4S+ MolecularWeight: 554.63942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N5O4S/c1-3-39-29(36)15-17-35-16-5-7-23-6-4-8-27(30(23)35)40(37,38)33-24-13-14-26-25(19-24)32-28(34(26)2)18-21-9-11-22(20-31)12-10-21/h4-14,16,19,33H,3,15,17-18H2,1-2H3/q+1