(4-methylphenyl)-[2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenyl]sulfonyl-azanide

Systemtic Name: (4-methylphenyl)-[2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenyl]sulfonyl-azanide Openeye Name: [5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]sulfonyl-(p-tolyl)azanide CAS Name: [2-methyl-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]sulfonyl-(4-methylphenyl)azanide IUPAC Name: (4-methylphenyl)-[2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenyl]sulfonylazanide Traditional Name: [5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methyl-phenyl]sulfonyl-(p-tolyl)azanide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N3O3S/c1-22-10-14-26(15-11-22)29-35(33,34)27-21-25(13-12-23(27)2)28(32)31-19-17-30(18-20-31)16-6-9-24-7-4-3-5-8-24/h3-15,21H,16-20H2,1-2H3/q-1/p+1/b9-6+