(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29N3O6S/c1-4-5-12-26-19-9-8-17(33(24,28)29)14-18(19)25-22(26)15-32-23(27)11-7-16-6-10-20(30-2)21(13-16)31-3/h6,8-10,13-14H,4-5,7,11-12,15H2,1-3H3,(H2,24,28,29)