N-(4-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(p-tolyl)benzenesulfonamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-22-9-13-25(14-10-22)28-34(32,33)26-15-11-24(12-16-26)27(31)30-20-18-29(19-21-30)17-5-8-23-6-3-2-4-7-23/h2-16,28H,17-21H2,1H3/p+1/b8-5+