3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one Openeye Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one CAS Name: 3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Formula: C22H30N2O4S MolecularWeight: 418.5496

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-15-6-7-20(16(2)12-15)29(27,28)24-10-8-23(9-11-24)22(26)19-13-17-4-3-5-18(14-19)21(17)25/h6-7,12,17-19H,3-5,8-11,13-14H2,1-2H3