4-tert-butyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C

InChI

InChI=1S/C21H29N3O2S/c1-21(2,3)17-9-11-18(12-10-17)27(25,26)22-19-7-5-6-8-20(19)24-15-13-23(4)14-16-24/h5-12,22H,13-16H2,1-4H3/p+1