[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33NO5S/c1-16-5-6-21(32(29,30)26-7-3-4-8-26)12-22(16)24(28)31-17(2)23(27)25-13-18-9-19(14-25)11-20(10-18)15-25/h5-6,12,17-20H,3-4,7-11,13-15H2,1-2H3