(2-chloranyl-6-fluoranyl-phenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C19H19ClFNO5S MolecularWeight: 427.874263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H19ClFNO5S/c1-26-17-8-7-13(11-18(17)28(24,25)22-9-2-3-10-22)19(23)27-12-14-15(20)5-4-6-16(14)21/h4-8,11H,2-3,9-10,12H2,1H3