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

Systemtic Name: 2-chloranyl-N-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-cyclopropyl-benzenesulfonamide CAS Name: 2-chloro-N-cyclopropyl-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-cyclopropyl-benzenesulfonamide Formula: C23H27ClN3O3S+ MolecularWeight: 460.99678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O3S/c24-21-11-8-19(17-22(21)31(29,30)25-20-9-10-20)23(28)27-15-13-26(14-16-27)12-4-7-18-5-2-1-3-6-18/h1-8,11,17,20,25H,9-10,12-16H2/p+1/b7-4+