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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid (2-chloro-6-fluoro-benzyl) ester Formula: C22H23ClFNO6S MolecularWeight: 483.937523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H23ClFNO6S/c1-2-30-21(26)15-6-8-17(9-7-15)32(28,29)25-12-10-16(11-13-25)22(27)31-14-18-19(23)4-3-5-20(18)24/h3-9,16H,2,10-14H2,1H3