N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide

Systemtic Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Openeye Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide CAS Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-pentenamide IUPAC Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Traditional Name: N-[[7-(4-mesylphenyl)coumaran-2-yl]methyl]pent-4-enamide Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)CCC=C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)CCC=C

InChI

InChI=1S/C21H23NO4S/c1-3-4-8-20(23)22-14-17-13-16-6-5-7-19(21(16)26-17)15-9-11-18(12-10-15)27(2,24)25/h3,5-7,9-12,17H,1,4,8,13-14H2,2H3,(H,22,23)