[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31NO7S/c27-23(25-12-16-8-17(13-25)10-18(9-16)14-25)15-33-24(28)20-2-1-5-26(20)34(29,30)19-3-4-21-22(11-19)32-7-6-31-21/h3-4,11,16-18,20H,1-2,5-10,12-15H2