ethyl 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[2-(4-fluorophenyl)-1-pyrrolidinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[2-(4-fluorophenyl)pyrrolidino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO5S/c1-3-28-22(25)21-14(2)18-13-17(10-11-20(18)29-21)30(26,27)24-12-4-5-19(24)15-6-8-16(23)9-7-15/h6-11,13,19H,3-5,12H2,1-2H3