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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-2-3-12-24-19-10-9-17(30(22,26)27)14-18(19)23-20(24)15-28-21(25)11-13-29-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13,15H2,1H3,(H2,22,26,27)