N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c29-33(30,22-11-12-23-24(15-22)32-14-13-31-23)26-16-21-18-28(17-19-7-3-1-4-8-19)27-25(21)20-9-5-2-6-10-20/h1-12,15,18,26H,13-14,16-17H2