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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-5-methoxy-2-(phenylmethyl)pyrazol-3-yl]-2-phenyl-ethanesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-2-benzyl-5-methoxy-pyrazol-3-yl]-2-phenyl-ethanesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-5-methoxy-2-(phenylmethyl)-3-pyrazolyl]-2-phenylethanesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-2-benzyl-5-methoxypyrazol-3-yl]-2-phenylethanesulfonamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-2-benzyl-5-methoxy-pyrazol-3-yl]-2-phenyl-ethanesulfonamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)NS(=O)(=O)CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=NN(C(=C1C2=CC3=C(C=C2)OCO3)NS(=O)(=O)CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O5S/c1-32-26-24(21-12-13-22-23(16-21)34-18-33-22)25(29(27-26)17-20-10-6-3-7-11-20)28-35(30,31)15-14-19-8-4-2-5-9-19/h2-13,16,28H,14-15,17-18H2,1H3