4-[7-(1,3-dioxan-2-yl)-1-benzofuran-5-yl]-1-(phenylsulfonyl)pyrazole

Systemtic Name: 4-[7-(1,3-dioxan-2-yl)-1-benzofuran-5-yl]-1-(phenylsulfonyl)pyrazole Openeye Name: 1-(benzenesulfonyl)-4-[7-(1,3-dioxan-2-yl)benzofuran-5-yl]pyrazole CAS Name: 1-(benzenesulfonyl)-4-[7-(1,3-dioxan-2-yl)-5-benzofuranyl]pyrazole IUPAC Name: 1-(benzenesulfonyl)-4-[7-(1,3-dioxan-2-yl)-1-benzofuran-5-yl]pyrazole Traditional Name: 1-besyl-4-[7-(1,3-dioxan-2-yl)benzofuran-5-yl]pyrazole Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)C2=C3C(=CC(=C2)C4=CN(N=C4)S(=O)(=O)C5=CC=CC=C5)C=CO3

Isomeric SMILES

C1COC(OC1)C2=C3C(=CC(=C2)C4=CN(N=C4)S(=O)(=O)C5=CC=CC=C5)C=CO3

InChI

InChI=1S/C21H18N2O5S/c24-29(25,18-5-2-1-3-6-18)23-14-17(13-22-23)16-11-15-7-10-26-20(15)19(12-16)21-27-8-4-9-28-21/h1-3,5-7,10-14,21H,4,8-9H2