(3-fluoranyl-4-methoxy-phenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-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=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)F

Isomeric SMILES

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

InChI

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