1-[2-[3,5-bis(chloranyl)phenoxy]-5-nitro-phenyl]sulfonyl-3,5-dimethyl-piperazine

Systemtic Name: 1-[2-[3,5-bis(chloranyl)phenoxy]-5-nitro-phenyl]sulfonyl-3,5-dimethyl-piperazine Openeye Name: 1-[2-(3,5-dichlorophenoxy)-5-nitro-phenyl]sulfonyl-3,5-dimethyl-piperazine CAS Name: 1-[2-(3,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine IUPAC Name: 1-[2-(3,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine Traditional Name: 1-[2-(3,5-dichlorophenoxy)-5-nitro-phenyl]sulfonyl-3,5-dimethyl-piperazine Formula: C18H19Cl2N3O5S MolecularWeight: 460.33156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC1CN(CC(N1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O5S/c1-11-9-22(10-12(2)21-11)29(26,27)18-8-15(23(24)25)3-4-17(18)28-16-6-13(19)5-14(20)7-16/h3-8,11-12,21H,9-10H2,1-2H3