N-[2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenyl]methanesulfonamide

Systemtic Name: N-[2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenyl]methanesulfonamide Openeye Name: N-[5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]methanesulfonamide CAS Name: N-[2-methyl-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]methanesulfonamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)NS(=O)(=O)C

InChI

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