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

Systemtic Name: 4-chloranyl-N-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-chloro-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide CAS Name: 4-chloro-N-(4-fluorophenyl)-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide Formula: C26H26ClFN3O3S+ MolecularWeight: 515.019343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C26H25ClFN3O3S/c27-25-13-12-23(35(33,34)29-22-10-8-21(28)9-11-22)19-24(25)26(32)31-17-15-30(16-18-31)14-4-7-20-5-2-1-3-6-20/h1-13,19,29H,14-18H2/p+1/b7-4+