2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: 2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-2-methyl-benzamide CAS Name: 2-methyl-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-2-methyl-benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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