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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)NCC1CC2=CC=CC(=C2O1)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C/C=C(\C)/C(=O)NC[C@H]1CC2=CC=CC(=C2O1)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO4S/c1-4-14(2)21(23)22-13-17-12-16-6-5-7-19(20(16)26-17)15-8-10-18(11-9-15)27(3,24)25/h4-11,17H,12-13H2,1-3H3,(H,22,23)/b14-4+/t17-/m1/s1