[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H28ClNO5S MolecularWeight: 465.99012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28ClNO5S/c24-18-3-5-19(6-4-18)31(28,29)25-7-1-2-20(25)22(27)30-14-21(26)23-11-15-8-16(12-23)10-17(9-15)13-23/h3-6,15-17,20H,1-2,7-14H2