N-phenyl-3-piperazin-4-ium-1-yl-benzenesulfonamide

Systemtic Name: N-phenyl-3-piperazin-4-ium-1-yl-benzenesulfonamide Openeye Name: N-phenyl-3-piperazin-4-ium-1-yl-benzenesulfonamide CAS Name: N-phenyl-3-(1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: N-phenyl-3-piperazin-4-ium-1-ylbenzenesulfonamide Traditional Name: N-phenyl-3-piperazin-4-ium-1-yl-benzenesulfonamide Formula: C16H20N3O2S+ MolecularWeight: 318.4139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2S/c20-22(21,18-14-5-2-1-3-6-14)16-8-4-7-15(13-16)19-11-9-17-10-12-19/h1-8,13,17-18H,9-12H2/p+1