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

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid (2-chloro-4-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=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C=C3)F)Cl

InChI

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