(E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-yl-prop-2-enamide Openeye Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(4-pyridyl)prop-2-enamide CAS Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyridin-4-yl-2-propenamide IUPAC Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide Traditional Name: (E)-N-[[(2S)-5-(4-mesylphenyl)coumaran-2-yl]methyl]-3-(4-pyridyl)acrylamide Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)C=CC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)/C=C/C4=CC=NC=C4

InChI

InChI=1S/C24H22N2O4S/c1-31(28,29)22-6-3-18(4-7-22)19-5-8-23-20(14-19)15-21(30-23)16-26-24(27)9-2-17-10-12-25-13-11-17/h2-14,21H,15-16H2,1H3,(H,26,27)/b9-2+/t21-/m0/s1