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

Systemtic Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrazol-1-yl-acetamide CAS Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylacetamide Traditional Name: N-[[7-(4-mesylphenyl)coumaran-2-yl]methyl]-2-pyrazol-1-yl-acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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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)CN4C=CC=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)CN4C=CC=N4

InChI

InChI=1S/C21H21N3O4S/c1-29(26,27)18-8-6-15(7-9-18)19-5-2-4-16-12-17(28-21(16)19)13-22-20(25)14-24-11-3-10-23-24/h2-11,17H,12-14H2,1H3,(H,22,25)