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

Systemtic Name: (E)-N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-2-phenyl-ethenesulfonamide CAS Name: (E)-N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methyl-2-phenylethenesulfonamide Traditional Name: (E)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-methyl-2-phenyl-ethenesulfonamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-23(29(27,28)17-12-20-8-4-2-5-9-20)19-22(26)25-15-13-24(14-16-25)18-21-10-6-3-7-11-21/h2-12,17H,13-16,18-19H2,1H3/p+1/b17-12+