N-(4-methoxyphenyl)-2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(4-methoxyphenyl)-2-methyl-benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-2-methyl-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-2-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(4-methoxyphenyl)-2-methyl-benzenesulfonamide Formula: C28H32N3O4S+ MolecularWeight: 506.63638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H31N3O4S/c1-22-10-11-24(21-27(22)36(33,34)29-25-12-14-26(35-2)15-13-25)28(32)31-19-17-30(18-20-31)16-6-9-23-7-4-3-5-8-23/h3-15,21,29H,16-20H2,1-2H3/p+1/b9-6+