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

Systemtic Name: 2-(1-adamantyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C24H34N2O3S MolecularWeight: 430.60336

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3S/c1-17-3-4-22(9-18(17)2)30(28,29)26-7-5-25(6-8-26)23(27)16-24-13-19-10-20(14-24)12-21(11-19)15-24/h3-4,9,19-21H,5-8,10-16H2,1-2H3