N-methyl-N-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCC(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CC(=O)N1CCC(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O5S/c1-22(29(25,26)16-7-8-18-19(13-16)28-12-11-27-18)14-20(24)23-10-9-17(21-23)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3