(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3,5-dimethylbenzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3,5-dimethylbenzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-5-8-24-19-7-6-17(29(22,26)27)12-18(19)23-20(24)13-28-21(25)16-10-14(2)9-15(3)11-16/h6-7,9-12H,4-5,8,13H2,1-3H3,(H2,22,26,27)