(4-propanoylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-propanoylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-propanoylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (4-propionylphenyl) ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO5S/c1-2-20(24)15-3-7-18(8-4-15)28-21(25)16-11-13-23(14-12-16)29(26,27)19-9-5-17(22)6-10-19/h3-10,16H,2,11-14H2,1H3