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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)N3CCCC3

InChI

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