N-[4-(1,3-benzodioxol-5-yl)-1-(2-hydroxyethyl)-5-methoxy-pyrazol-3-yl]-2-phenyl-ethanesulfonamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1-(2-hydroxyethyl)-5-methoxy-pyrazol-3-yl]-2-phenyl-ethanesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-1-(2-hydroxyethyl)-5-methoxy-pyrazol-3-yl]-2-phenyl-ethanesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-1-(2-hydroxyethyl)-5-methoxy-3-pyrazolyl]-2-phenylethanesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1-(2-hydroxyethyl)-5-methoxypyrazol-3-yl]-2-phenylethanesulfonamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-1-(2-hydroxyethyl)-5-methoxy-pyrazol-3-yl]-2-phenyl-ethanesulfonamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NN1CCO)NS(=O)(=O)CCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C(=NN1CCO)NS(=O)(=O)CCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6S/c1-28-21-19(16-7-8-17-18(13-16)30-14-29-17)20(22-24(21)10-11-25)23-31(26,27)12-9-15-5-3-2-4-6-15/h2-8,13,25H,9-12,14H2,1H3,(H,22,23)