(5-bromanyl-2-methoxy-phenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (5-bromo-2-methoxy-benzyl) ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22BrNO6S/c1-26-17-8-6-16(21)11-15(17)13-28-20(23)14-5-7-18(27-2)19(12-14)29(24,25)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3