2-chloranyl-N-phenyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-phenyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-phenyl-benzenesulfonamide CAS Name: 2-chloro-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-phenylbenzenesulfonamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-phenyl-benzenesulfonamide Formula: C24H25ClN3O3S+ MolecularWeight: 470.9916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O3S/c25-22-12-11-20(17-23(22)32(30,31)26-21-9-5-2-6-10-21)24(29)28-15-13-27(14-16-28)18-19-7-3-1-4-8-19/h1-12,17,26H,13-16,18H2/p+1