2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3S/c1-16-20(17(2)23(3)22-16)21-19(26)15-24-10-12-25(13-11-24)29(27,28)14-9-18-7-5-4-6-8-18/h4-9,14H,10-13,15H2,1-3H3,(H,21,26)/p+1/b14-9+