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

Systemtic Name: N-(2-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-34-26-15-6-5-14-25(26)28-35(32,33)24-13-7-12-23(21-24)27(31)30-19-17-29(18-20-30)16-8-11-22-9-3-2-4-10-22/h2-15,21,28H,16-20H2,1H3/p+1/b11-8+