4-ethanoyl-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]benzenesulfonamide Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-19(27)21-9-11-22(12-10-21)31(29,30)24-18-23(28)26-16-14-25(15-17-26)13-5-8-20-6-3-2-4-7-20/h2-12,24H,13-18H2,1H3/p+1/b8-5+