4-[3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]sulfonylmorpholine Openeye Name: 4-[3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-[[4-(1-pyrazolyl)phenyl]methoxy]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]sulfonylmorpholine Traditional Name: 4-[3-nitro-4-(4-pyrazol-1-ylbenzyl)oxy-phenyl]sulfonylmorpholine Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c25-24(26)19-14-18(31(27,28)22-10-12-29-13-11-22)6-7-20(19)30-15-16-2-4-17(5-3-16)23-9-1-8-21-23/h1-9,14H,10-13,15H2