(2-chloranyl-6-fluoranyl-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H21ClFNO5S MolecularWeight: 453.911543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H21ClFNO5S/c1-14(25)15-8-10-16(11-9-15)30(27,28)24-12-3-2-7-20(24)21(26)29-13-17-18(22)5-4-6-19(17)23/h4-6,8-11,20H,2-3,7,12-13H2,1H3