ethyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]coumarilic acid ethyl ester Formula: C21H20FNO6S MolecularWeight: 433.450003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO6S/c1-2-28-21(25)20-19(16-6-3-4-7-17(16)29-20)23-18(24)8-5-13-30(26,27)15-11-9-14(22)10-12-15/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,23,24)