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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1H-pyrazol-5-yl]-2-phenyl-ethanesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1H-pyrazol-5-yl]-2-phenyl-ethanesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1H-pyrazol-5-yl]-2-phenylethanesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1H-pyrazol-5-yl]-2-phenylethanesulfonamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1H-pyrazol-5-yl]-2-phenyl-ethanesulfonamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1C2=CC3=C(C=C2)OCO3)NS(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=NNC(=C1C2=CC3=C(C=C2)OCO3)NS(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C19H19N3O5S/c1-25-19-17(14-7-8-15-16(11-14)27-12-26-15)18(20-21-19)22-28(23,24)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,20,21,22)