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

Systemtic Name: 4-[7-(1,3-dioxan-2-yl)-1-benzofuran-5-yl]-3,5-dimethyl-1-(phenylsulfonyl)pyrazole Openeye Name: 1-(benzenesulfonyl)-4-[7-(1,3-dioxan-2-yl)benzofuran-5-yl]-3,5-dimethyl-pyrazole CAS Name: 1-(benzenesulfonyl)-4-[7-(1,3-dioxan-2-yl)-5-benzofuranyl]-3,5-dimethylpyrazole IUPAC Name: 1-(benzenesulfonyl)-4-[7-(1,3-dioxan-2-yl)-1-benzofuran-5-yl]-3,5-dimethylpyrazole Traditional Name: 1-besyl-4-[7-(1,3-dioxan-2-yl)benzofuran-5-yl]-3,5-dimethyl-pyrazole Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)C3=CC(=C4C(=C3)C=CO4)C5OCCCO5

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)C3=CC(=C4C(=C3)C=CO4)C5OCCCO5

InChI

InChI=1S/C23H22N2O5S/c1-15-21(16(2)25(24-15)31(26,27)19-7-4-3-5-8-19)18-13-17-9-12-28-22(17)20(14-18)23-29-10-6-11-30-23/h3-5,7-9,12-14,23H,6,10-11H2,1-2H3