1-[7-methoxy-4-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-1-benzofuran-2-yl]ethanone

Systemtic Name: 1-[7-methoxy-4-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-1-benzofuran-2-yl]ethanone Openeye Name: 1-[7-methoxy-4-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]benzofuran-2-yl]ethanone CAS Name: 1-[7-methoxy-4-[1-[(4-methylsulfonylphenyl)methyl]-3-pyrazolyl]-2-benzofuranyl]ethanone IUPAC Name: 1-[7-methoxy-4-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-1-benzofuran-2-yl]ethanone Traditional Name: 1-[4-[1-(4-mesylbenzyl)pyrazol-3-yl]-7-methoxy-benzofuran-2-yl]ethanone Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=CC(=C2O1)OC)C3=NN(C=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=CC(=C2O1)OC)C3=NN(C=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O5S/c1-14(25)21-12-18-17(8-9-20(28-2)22(18)29-21)19-10-11-24(23-19)13-15-4-6-16(7-5-15)30(3,26)27/h4-12H,13H2,1-3H3