[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O6S/c1-4-11-26-19-8-7-17(33(28,29)25(2)3)13-18(19)24-22(26)14-30-23(27)10-6-16-5-9-20-21(12-16)32-15-31-20/h5,7-9,12-13H,4,6,10-11,14-15H2,1-3H3