(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H17ClFNO7S MolecularWeight: 457.857183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H17ClFNO7S/c20-15-7-12(8-17-18(15)29-11-28-17)10-27-19(23)14-9-13(1-2-16(14)21)30(24,25)22-3-5-26-6-4-22/h1-2,7-9H,3-6,10-11H2