N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C24H28N5O3S+ MolecularWeight: 466.57582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3S/c1-20-18-23(29(26-20)22-10-6-3-7-11-22)25-24(30)19-27-13-15-28(16-14-27)33(31,32)17-12-21-8-4-2-5-9-21/h2-12,17-18H,13-16,19H2,1H3,(H,25,30)/p+1/b17-12+