N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-4-ium-1-yl]phenyl]acetamide CAS Name: N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-4-ium-1-yl]phenyl]acetamide Traditional Name: N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-4-ium-1-yl]phenyl]acetamide Formula: C23H39N4O3S+ MolecularWeight: 451.64576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2CC[NH+](CC2)CCCCNS(=O)(=O)CC3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2CC[NH+](CC2)CCCCNS(=O)(=O)CC3CCCCC3

InChI

InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)/p+1