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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C24H29FN2O6S MolecularWeight: 492.560263

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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)N4CCOCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4)F

InChI

InChI=1S/C24H29FN2O6S/c1-31-23-8-5-18(15-21(23)25)17-33-24(28)20-16-19(34(29,30)27-9-3-2-4-10-27)6-7-22(20)26-11-13-32-14-12-26/h5-8,15-16H,2-4,9-14,17H2,1H3