[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO5S MolecularWeight: 445.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H31NO5S/c1-16(22(26)24-13-17-9-18(14-24)11-19(10-17)15-24)30-23(27)20-5-4-6-21(12-20)31(28,29)25-7-2-3-8-25/h4-6,12,16-19H,2-3,7-11,13-15H2,1H3