(E)-2-phenyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethenesulfonamide

Systemtic Name: (E)-2-phenyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethenesulfonamide Openeye Name: (E)-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2-phenyl-ethenesulfonamide Formula: C26H28N3O3S+ MolecularWeight: 462.58382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c30-26(29-18-16-28(17-19-29)21-23-9-5-2-6-10-23)24-11-13-25(14-12-24)27-33(31,32)20-15-22-7-3-1-4-8-22/h1-15,20,27H,16-19,21H2/p+1/b20-15+