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

Systemtic Name: 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one Openeye Name: 3-[4-(2-bromophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one CAS Name: 3-[[4-(2-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-[4-(2-bromophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Traditional Name: 3-[4-(2-bromophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Formula: C20H25BrN2O4S MolecularWeight: 469.3925

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C20H25BrN2O4S/c21-17-6-1-2-7-18(17)28(26,27)23-10-8-22(9-11-23)20(25)16-12-14-4-3-5-15(13-16)19(14)24/h1-2,6-7,14-16H,3-5,8-13H2