2-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-(2,6-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C17H26Cl2N3O3S+ MolecularWeight: 423.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2Cl)Cl

InChI

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