N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Formula: C17H24N5O2S+ MolecularWeight: 362.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C17H23N5O2S/c23-25(24,16-6-2-1-3-7-16)20-10-5-11-21-12-14-22(15-13-21)17-18-8-4-9-19-17/h1-4,6-9,20H,5,10-15H2/p+1