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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-piperidin-1-yl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-(1-piperidyl)benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-piperidinyl)benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-piperidino-benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33N3O7S/c1-3-29(4-2)37(32,33)20-9-10-22(28-12-6-5-7-13-28)21(15-20)26(31)34-17-25(30)27-16-19-8-11-23-24(14-19)36-18-35-23/h8-11,14-15H,3-7,12-13,16-18H2,1-2H3,(H,27,30)