(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(3-methylphenoxy)ethanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(3-methylphenoxy)ethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)COC3=CC=CC(=C3)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)COC3=CC=CC(=C3)C

InChI

InChI=1S/C21H25N3O5S/c1-3-4-10-24-19-9-8-17(30(22,26)27)12-18(19)23-20(24)13-29-21(25)14-28-16-7-5-6-15(2)11-16/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H2,22,26,27)