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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-phenylpropanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic 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)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-2-3-13-24-19-11-10-17(29(22,26)27)14-18(19)23-20(24)15-28-21(25)12-9-16-7-5-4-6-8-16/h4-8,10-11,14H,2-3,9,12-13,15H2,1H3,(H2,22,26,27)