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

Systemtic Name: 4-ethanoyl-N-methyl-N-[4-oxidanylidene-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-oxo-butyl]-N-methyl-benzenesulfonamide CAS Name: 4-acetyl-N-methyl-N-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-methyl-N-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-keto-butyl]-N-methyl-benzenesulfonamide Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c1-22(30)24-12-14-25(15-13-24)34(32,33)27(2)16-7-11-26(31)29-20-18-28(19-21-29)17-6-10-23-8-4-3-5-9-23/h3-6,8-10,12-15H,7,11,16-21H2,1-2H3/p+1/b10-6+