[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27NO7S/c27-22(20-5-7-23-24(15-20)32-13-12-31-23)16-33-25(28)18-8-10-26(11-9-18)34(29,30)21-6-4-17-2-1-3-19(17)14-21/h4-7,14-15,18H,1-3,8-13,16H2