(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21ClFNO6S MolecularWeight: 469.910943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)F

InChI

InChI=1S/C21H21ClFNO6S/c22-17-8-15-11-28-13-30-20(15)16(9-17)12-29-21(25)14-4-5-18(23)19(10-14)31(26,27)24-6-2-1-3-7-24/h4-5,8-10H,1-3,6-7,11-13H2