[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-keto-ethyl] ester Formula: C21H22N2O8S2 MolecularWeight: 494.53798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N2O8S2/c24-18(22-20(25)17-12-29-15-4-1-2-5-16(15)31-17)13-30-21(26)14-7-9-23(10-8-14)33(27,28)19-6-3-11-32-19/h1-6,11,14,17H,7-10,12-13H2,(H,22,24,25)