(4-methylphenyl)sulfonyl-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide Openeye Name: [3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-quinoxalinyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide Traditional Name: [3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]-tosyl-azanide Formula: C28H29N5O2S MolecularWeight: 499.62716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H28N5O2S/c1-22-13-15-24(16-14-22)36(34,35)31-27-28(30-26-12-6-5-11-25(26)29-27)33-20-18-32(19-21-33)17-7-10-23-8-3-2-4-9-23/h2-16H,17-21H2,1H3/q-1/p+1/b10-7+