N-(3-nitrophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide Formula: C18H21N4O5S+ MolecularWeight: 405.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O5S/c23-18(19-15-5-4-6-16(13-15)22(24)25)14-20-9-11-21(12-10-20)28(26,27)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,19,23)/p+1