[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-bromanylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO5S/c21-17-8-4-16(5-9-17)20(24)27-14-19(23)15-6-10-18(11-7-15)28(25,26)22-12-2-1-3-13-22/h4-11H,1-3,12-14H2