methyl 3-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]benzoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]benzoate Openeye Name: methyl 3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethoxy]benzoate CAS Name: 3-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethoxy]benzoate Traditional Name: 3-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethoxy]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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