[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31NO5S/c26-22(20-3-5-21(6-4-20)31(28,29)25-7-1-2-8-25)16-30-23(27)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,17-19H,1-2,7-16H2