[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O6S/c1-15-18-9-2-3-10-19(18)30-21(15)22(26)29-14-20(25)23-16-7-6-8-17(13-16)31(27,28)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,23,25)