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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H19NO7S2 MolecularWeight: 437.48666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S2/c21-15(14-3-4-16-17(10-14)27-12-26-16)11-25-19(22)13-5-7-20(8-6-13)29(23,24)18-2-1-9-28-18/h1-4,9-10,13H,5-8,11-12H2