2-(3-bromanyl-1-adamantyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-(4-tosylpiperazino)ethanone Formula: C23H31BrN2O3S MolecularWeight: 495.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrN2O3S/c1-17-2-4-20(5-3-17)30(28,29)26-8-6-25(7-9-26)21(27)15-22-11-18-10-19(12-22)14-23(24,13-18)16-22/h2-5,18-19H,6-16H2,1H3