(2-chloranyl-6-fluoranyl-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO4S MolecularWeight: 425.901443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21ClFNO4S/c1-14-8-9-15(12-19(14)28(25,26)23-10-3-2-4-11-23)20(24)27-13-16-17(21)6-5-7-18(16)22/h5-9,12H,2-4,10-11,13H2,1H3