2-(3-oxidanyl-1-adamantyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-oxidanyl-1-adamantyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]ethanone Formula: C26H38N2O4S MolecularWeight: 474.65592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O)C)C

InChI

InChI=1S/C26H38N2O4S/c1-17-9-18(2)20(4)24(19(17)3)33(31,32)28-7-5-27(6-8-28)23(29)15-25-11-21-10-22(12-25)14-26(30,13-21)16-25/h9,21-22,30H,5-8,10-16H2,1-4H3