[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)thiophene-2-carboxylate CAS Name: 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-piperidinosulfonylthiophene-2-carboxylic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO5S2 MolecularWeight: 465.62594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CS4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CS4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C23H31NO5S2/c1-15(21(25)23-12-16-9-17(13-23)11-18(10-16)14-23)29-22(26)20-19(5-8-30-20)31(27,28)24-6-3-2-4-7-24/h5,8,15-18H,2-4,6-7,9-14H2,1H3/t15-,16?,17?,18?,23?/m1/s1