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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H21ClFNO5S MolecularWeight: 441.900843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)F

InChI

InChI=1S/C20H21ClFNO5S/c1-27-18-8-5-14(11-17(18)22)13-28-20(24)15-6-7-16(21)19(12-15)29(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3