4-[3,5-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazol-4-yl]sulfonylmorpholine

Systemtic Name: 4-[3,5-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazol-4-yl]sulfonylmorpholine Openeye Name: 4-[3,5-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazol-4-yl]sulfonylmorpholine CAS Name: 4-[[3,5-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyrazolyl]sulfonyl]morpholine IUPAC Name: 4-[3,5-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazol-4-yl]sulfonylmorpholine Traditional Name: 4-[3,5-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyrazol-4-yl]sulfonylmorpholine Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H22N4O7S/c1-12-18(30(25,26)20-3-5-27-6-4-20)13(2)21(19-12)9-14-7-16(22(23)24)8-15-10-28-11-29-17(14)15/h7-8H,3-6,9-11H2,1-2H3