4-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine Openeye Name: 4-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine CAS Name: 4-[4-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethoxy]phenyl]sulfonylmorpholine IUPAC Name: 4-[4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine Traditional Name: 4-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCOC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCOC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6S/c1-13-17(21(22)23)14(2)20(18-13)9-12-27-15-3-5-16(6-4-15)28(24,25)19-7-10-26-11-8-19/h3-6H,7-12H2,1-2H3