[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N2O7S2/c23-18(21-11-14-3-4-16-17(10-14)29-13-28-16)12-27-20(24)15-5-7-22(8-6-15)31(25,26)19-2-1-9-30-19/h1-4,9-10,15H,5-8,11-13H2,(H,21,23)