(E)-N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethyloxy)-2-methyl-pyrazol-3-yl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethyloxy)-2-methyl-pyrazol-3-yl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethoxy)-2-methyl-pyrazol-3-yl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethoxy)-2-methyl-3-pyrazolyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethoxy)-2-methylpyrazol-3-yl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethoxy)-2-methyl-pyrazol-3-yl]-2-phenyl-ethenesulfonamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)OCCO)C2=CC3=C(C=C2)OCO3)NS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)OCCO)C2=CC3=C(C=C2)OCO3)NS(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O6S/c1-24-20(23-31(26,27)12-9-15-5-3-2-4-6-15)19(21(22-24)28-11-10-25)16-7-8-17-18(13-16)30-14-29-17/h2-9,12-13,23,25H,10-11,14H2,1H3/b12-9+