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

Systemtic Name: 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one Openeye Name: 3-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one CAS Name: 3-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Traditional Name: 3-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c25-21-18-7-4-8-19(21)16-20(15-18)22(26)23-10-12-24(13-11-23)29(27,28)14-9-17-5-2-1-3-6-17/h1-3,5-6,9,14,18-20H,4,7-8,10-13,15-16H2/b14-9+