4-[(2S)-butan-2-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H29N3O2S/c1-4-17(2)18-5-11-21(12-6-18)27(25,26)22-19-7-9-20(10-8-19)24-15-13-23(3)14-16-24/h5-12,17,22H,4,13-16H2,1-3H3/p+1/t17-/m0/s1