1-[4-[3,5-bis(chloranyl)phenoxy]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-[3,5-bis(chloranyl)phenoxy]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(3,5-dichlorophenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(3,5-dichlorophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(3,5-dichlorophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(3,5-dichlorophenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C17H18Cl2N3O5S+ MolecularWeight: 447.31292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17Cl2N3O5S/c1-20-4-6-21(7-5-20)28(25,26)15-2-3-17(16(11-15)22(23)24)27-14-9-12(18)8-13(19)10-14/h2-3,8-11H,4-7H2,1H3/p+1