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

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (4-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=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C#N)F)C

Isomeric SMILES

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

InChI

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