N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-phenyl-benzenesulfonamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-phenyl-benzenesulfonamide CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-phenyl-benzenesulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S/c29-25(27-18-16-26(17-19-27)20-22-10-4-1-5-11-22)21-28(23-12-6-2-7-13-23)32(30,31)24-14-8-3-9-15-24/h1-15H,16-21H2/p+1