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

Systemtic Name: 4-[1-(4-chloranyl-3-nitro-phenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylmorpholine Openeye Name: 4-[1-(4-chloro-3-nitro-phenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylmorpholine CAS Name: 4-[[1-(4-chloro-3-nitrophenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-(4-chloro-3-nitrophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine Traditional Name: 4-[1-(4-chloro-3-nitro-phenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylmorpholine Formula: C15H17ClN4O7S2 MolecularWeight: 464.90108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C15H17ClN4O7S2/c1-10-15(29(25,26)18-5-7-27-8-6-18)11(2)19(17-10)28(23,24)12-3-4-13(16)14(9-12)20(21)22/h3-4,9H,5-8H2,1-2H3