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

Systemtic Name: 4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]sulfonylmorpholine Formula: C16H20N4O5S MolecularWeight: 380.4188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c1-12-16(20(21)22)13(2)19(17-12)11-14-4-3-5-15(10-14)26(23,24)18-6-8-25-9-7-18/h3-5,10H,6-9,11H2,1-2H3