N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-fluoro-benzenesulfonamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-fluoro-benzenesulfonamide Formula: C18H20FNO4S MolecularWeight: 365.419103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FNO4S/c1-3-23-17-9-13-8-12(2)24-18(13)10-14(17)11-20-25(21,22)16-6-4-15(19)5-7-16/h4-7,9-10,12,20H,3,8,11H2,1-2H3/t12-/m0/s1