[3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H22FN3O7S MolecularWeight: 491.489383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)COC3=CC=C(C=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)COC3=CC=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22FN3O7S/c1-30-18-9-4-15(12-19(18)34(28,29)26-10-2-3-11-26)22(27)32-14-21-24-20(25-33-21)13-31-17-7-5-16(23)6-8-17/h4-9,12H,2-3,10-11,13-14H2,1H3