N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide CAS Name: N-[3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c28-24(27-16-14-26(15-17-27)19-20-8-3-1-4-9-20)21-10-7-11-22(18-21)25-31(29,30)23-12-5-2-6-13-23/h1-13,18,25H,14-17,19H2/p+1