methyl 3-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]benzoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]benzoate Openeye Name: methyl 3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]benzoate CAS Name: 3-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]benzoate Traditional Name: 3-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethoxy]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O6S/c1-27-20(24)15-6-4-8-17(12-15)28-14-19(23)21-16-7-5-9-18(13-16)29(25,26)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,21,23)