4-(cyclohexylmethoxy)-N,N-dimethyl-2-nitro-5-pyridin-4-ylsulfinyl-benzeneamine oxide

Systemtic Name: 4-(cyclohexylmethoxy)-N,N-dimethyl-2-nitro-5-pyridin-4-ylsulfinyl-benzeneamine oxide Openeye Name: 4-(cyclohexylmethoxy)-N,N-dimethyl-2-nitro-5-(4-pyridylsulfinyl)benzeneamine oxide CAS Name: 4-(cyclohexylmethoxy)-N,N-dimethyl-2-nitro-5-pyridin-4-ylsulfinylbenzeneamine oxide IUPAC Name: 4-(cyclohexylmethoxy)-N,N-dimethyl-2-nitro-5-pyridin-4-ylsulfinylbenzeneamine oxide Traditional Name: 4-(cyclohexylmethoxy)-N,N-dimethyl-2-nitro-5-(4-pyridylsulfinyl)benzeneamine oxide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC(=C(C=C1[N+](=O)[O-])OCC2CCCCC2)S(=O)C3=CC=NC=C3)[O-]

Isomeric SMILES

C[N+](C)(C1=CC(=C(C=C1[N+](=O)[O-])OCC2CCCCC2)S(=O)C3=CC=NC=C3)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-23(2,26)18-13-20(29(27)16-8-10-21-11-9-16)19(12-17(18)22(24)25)28-14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3