2-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H26Cl2N3O3S+ MolecularWeight: 423.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H25Cl2N3O3S/c1-2-3-4-7-20-17(23)13-21-8-10-22(11-9-21)26(24,25)16-12-14(18)5-6-15(16)19/h5-6,12H,2-4,7-11,13H2,1H3,(H,20,23)/p+1