1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(3-hydroxy-1-adamantyl)ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-(3-hydroxy-1-adamantyl)ethanone Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C24H34N2O4S/c1-17-3-4-21(9-18(17)2)31(29,30)26-7-5-25(6-8-26)22(27)15-23-11-19-10-20(12-23)14-24(28,13-19)16-23/h3-4,9,19-20,28H,5-8,10-16H2,1-2H3