(5-cyano-2-fluoranyl-phenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F)C

InChI

InChI=1S/C22H23FN2O4S/c1-15-9-16(2)13-25(12-15)30(27,28)20-6-4-18(5-7-20)22(26)29-14-19-10-17(11-24)3-8-21(19)23/h3-8,10,15-16H,9,12-14H2,1-2H3/t15-,16-/m1/s1