(3-fluorophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-fluorophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-fluorophenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-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)C(=O)OCC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCC3

InChI

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