4-[5-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methyl-phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methyl-phenyl]sulfonylmorpholine Openeye Name: 4-[5-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methyl-phenyl]sulfonylmorpholine CAS Name: 4-[5-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylphenyl]sulfonylmorpholine IUPAC Name: 4-[5-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylphenyl]sulfonylmorpholine Traditional Name: 4-[2-methyl-5-(5-neopentyl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=C2)CC(C)(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=C2)CC(C)(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H27N3O3S/c1-14-5-6-15(17-12-16(20-21-17)13-19(2,3)4)11-18(14)26(23,24)22-7-9-25-10-8-22/h5-6,11-12H,7-10,13H2,1-4H3,(H,20,21)