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

Systemtic Name: N-(4-ethylphenyl)-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-(4-ethylphenyl)methanesulfonamide CAS Name: N-(4-ethylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-(4-ethylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-N-(4-ethylphenyl)methanesulfonamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O3S/c1-3-21-11-13-23(14-12-21)27(31(2,29)30)20-24(28)26-18-16-25(17-19-26)15-7-10-22-8-5-4-6-9-22/h4-14H,3,15-20H2,1-2H3/p+1/b10-7+