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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]-N-phenyl-benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-N-phenyl-benzenesulfonamide CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-N-phenylbenzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-phenyl-benzenesulfonamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c29-25(28-17-15-27(16-18-28)19-21-7-3-1-4-8-21)20-32-23-11-13-24(14-12-23)33(30,31)26-22-9-5-2-6-10-22/h1-14,26H,15-20H2/p+1