N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O4S/c1-24(29(25,26)18-9-10-20-21(15-18)28-13-12-27-20)11-5-8-17-14-19(23-22-17)16-6-3-2-4-7-16/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,22,23)