methyl 2-[(4-cyanophenyl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 2-[(4-cyanophenyl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: methyl 2-[(4-cyanophenyl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-[(4-cyanophenyl)methoxy]-5-(1-pyrrolidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(4-cyanophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-(4-cyanobenzyl)oxy-5-pyrrolidinosulfonyl-benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N2O5S/c1-26-20(23)18-12-17(28(24,25)22-10-2-3-11-22)8-9-19(18)27-14-16-6-4-15(13-21)5-7-16/h4-9,12H,2-3,10-11,14H2,1H3