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(5-cyano-2-fluoranyl-phenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

(5-cyano-2-fluoranyl-phenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name:(5-cyano-2-fluoranyl-phenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
Openeye Name:(5-cyano-2-fluoro-phenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CAS Name:1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester
IUPAC Name:(5-cyano-2-fluorophenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
Traditional Name:1-mesitylsulfonylisonipecotic acid (5-cyano-2-fluoro-benzyl) ester
Formula: C23H25FN2O4S
MolecularWeight: 444.519003
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC(=C3)C#N)F)C


Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC(=C3)C#N)F)C


InChI

InChI=1S/C23H25FN2O4S/c1-15-10-16(2)22(17(3)11-15)31(28,29)26-8-6-19(7-9-26)23(27)30-14-20-12-18(13-25)4-5-21(20)24/h4-5,10-12,19H,6-9,14H2,1-3H3


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