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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)F

InChI

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