3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylbenzenesulfonamide

Systemtic Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylbenzenesulfonamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C20H23N3O3S/c21-27(25,26)19-10-4-9-18(16-19)20(24)23-14-12-22(13-15-23)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H2,21,25,26)/p+1/b8-5+