5-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-N,2,3-trimethyl-benzenesulfonamide

Systemtic Name: 5-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-N,2,3-trimethyl-benzenesulfonamide Openeye Name: 5-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]-N,2,3-trimethyl-benzenesulfonamide CAS Name: 5-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-N,2,3-trimethylbenzenesulfonamide IUPAC Name: 5-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]-N,2,3-trimethylbenzenesulfonamide Traditional Name: 5-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]-N,2,3-trimethyl-benzenesulfonamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl)S(=O)(=O)NC)C

InChI

InChI=1S/C22H28ClN3O4S/c1-16-14-18(15-21(17(16)2)31(28,29)24-3)22(27)26-10-8-25(9-11-26)12-13-30-20-6-4-19(23)5-7-20/h4-7,14-15,24H,8-13H2,1-3H3/p+1