N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-18(25)22-20-9-11-21(12-10-20)28(26,27)24-16-14-23(15-17-24)13-5-8-19-6-3-2-4-7-19/h2-12H,13-17H2,1H3,(H,22,25)/p+1/b8-5+