3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one Openeye Name: 3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Traditional Name: 3-(4-tosylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C21H28N2O4S/c1-15-5-7-19(8-6-15)28(26,27)23-11-9-22(10-12-23)21(25)18-13-16-3-2-4-17(14-18)20(16)24/h5-8,16-18H,2-4,9-14H2,1H3