3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one Openeye Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one CAS Name: 3-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-[4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Traditional Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Formula: C18H23BrN2O4S2 MolecularWeight: 475.42022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C18H23BrN2O4S2/c19-15-4-5-16(26-15)27(24,25)21-8-6-20(7-9-21)18(23)14-10-12-2-1-3-13(11-14)17(12)22/h4-5,12-14H,1-3,6-11H2