[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O7S/c1-3-28(4-2)36(31,32)19-8-9-21(27-11-5-6-12-27)20(14-19)25(30)33-16-24(29)26-15-18-7-10-22-23(13-18)35-17-34-22/h7-10,13-14H,3-6,11-12,15-17H2,1-2H3,(H,26,29)