4-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-(3,5-dimethyl-1-pyrazolyl)-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(3,5-dimethylpyrazol-1-yl)-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-(3,5-dimethylpyrazol-1-yl)-3-nitro-phenyl]sulfonylmorpholine Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N4O5S/c1-11-9-12(2)18(16-11)14-4-3-13(10-15(14)19(20)21)25(22,23)17-5-7-24-8-6-17/h3-4,9-10H,5-8H2,1-2H3