[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-bromanylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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