(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H19ClFNO6S MolecularWeight: 455.884363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)F

InChI

InChI=1S/C20H19ClFNO6S/c21-15-8-13(9-17-19(15)29-12-28-17)11-27-20(24)14-4-5-16(22)18(10-14)30(25,26)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7,11-12H2