1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-ethyl-piperazine

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-ethyl-piperazine Openeye Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-ethyl-piperazine CAS Name: 1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine IUPAC Name: 1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine Traditional Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-ethyl-piperazine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C20H25N3O5S/c1-4-21-7-9-22(10-8-21)29(26,27)20-14-17(23(24)25)5-6-19(20)28-18-12-15(2)11-16(3)13-18/h5-6,11-14H,4,7-10H2,1-3H3