[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

InChI

InChI=1S/C22H21N3O6S/c1-14-17-8-2-3-9-18(17)31-21(14)22(27)30-13-20(26)24-15-6-4-7-16(12-15)32(28,29)25-19-10-5-11-23-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,25)(H,24,26)