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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H35NO5S MolecularWeight: 485.6355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35NO5S/c29-25(27-14-18-10-19(15-27)12-20(11-18)16-27)17-33-26(30)22-6-8-28(9-7-22)34(31,32)24-5-4-21-2-1-3-23(21)13-24/h4-5,13,18-20,22H,1-3,6-12,14-17H2