[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H31N3O7S/c1-14-19(15(2)32-23-14)33(29,30)25-5-3-24(4-6-25)18(26)12-31-20(27)21-8-16-7-17(9-21)11-22(28,10-16)13-21/h16-17,28H,3-13H2,1-2H3