N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-23(2)29(27,28)21-12-10-20(11-13-21)22(26)25-17-15-24(16-18-25)14-6-9-19-7-4-3-5-8-19/h3-13H,14-18H2,1-2H3/p+1/b9-6+