phenacyl 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: phenacyl 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: phenacyl 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid phenacyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO5S/c21-17-10-9-16(13-19(17)28(25,26)22-11-5-2-6-12-22)20(24)27-14-18(23)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2