ethyl 5-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[2-(3-fluorophenyl)-1-pyrrolidinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[2-(3-fluorophenyl)pyrrolidino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C22H22FNO5S MolecularWeight: 431.477183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3C4=CC(=CC=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3C4=CC(=CC=C4)F)C

InChI

InChI=1S/C22H22FNO5S/c1-3-28-22(25)21-14(2)18-13-17(9-10-20(18)29-21)30(26,27)24-11-5-8-19(24)15-6-4-7-16(23)12-15/h4,6-7,9-10,12-13,19H,3,5,8,11H2,1-2H3