(3-fluorophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-fluorophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-fluorophenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (3-fluorobenzyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FNO4S/c1-15-8-9-18(27(24,25)22-10-3-2-4-11-22)13-19(15)20(23)26-14-16-6-5-7-17(21)12-16/h5-9,12-13H,2-4,10-11,14H2,1H3