N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitro-phenyl]-N-hexyl-methanesulfonamide

Systemtic Name: N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitro-phenyl]-N-hexyl-methanesulfonamide Openeye Name: N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitro-phenyl]-N-hexyl-methanesulfonamide CAS Name: N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitrophenyl]-N-hexylmethanesulfonamide IUPAC Name: N-[2-[(2,5-dimethylphenyl)methoxy]-4-nitrophenyl]-N-hexylmethanesulfonamide Traditional Name: N-[2-(2,5-dimethylbenzyl)oxy-4-nitro-phenyl]-N-hexyl-methanesulfonamide Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCCCCCN(C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O5S/c1-5-6-7-8-13-23(30(4,27)28)21-12-11-20(24(25)26)15-22(21)29-16-19-14-17(2)9-10-18(19)3/h9-12,14-15H,5-8,13,16H2,1-4H3