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

Systemtic Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-3-yl-prop-2-enamide Openeye Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3-pyridyl)prop-2-enamide CAS Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide Traditional Name: (E)-N-[[(2S)-5-(4-mesylphenyl)coumaran-2-yl]methyl]-3-(3-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=CN=CC=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=CN=CC=C4

InChI

InChI=1S/C24H22N2O4S/c1-31(28,29)22-8-5-18(6-9-22)19-7-10-23-20(13-19)14-21(30-23)16-26-24(27)11-4-17-3-2-12-25-15-17/h2-13,15,21H,14,16H2,1H3,(H,26,27)/b11-4+/t21-/m0/s1