[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H30N4O7S MolecularWeight: 530.5933

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C25H30N4O7S/c1-4-29(5-2)37(32,33)18-7-8-20-19(13-18)27-23(28(20)3)10-11-25(31)34-15-24(30)26-14-17-6-9-21-22(12-17)36-16-35-21/h6-9,12-13H,4-5,10-11,14-16H2,1-3H3,(H,26,30)