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

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]-N-phenethyl-benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-N-phenethyl-benzenesulfonamide CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-N-phenethylbenzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-N-phenethylbenzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-phenethyl-benzenesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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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)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c31-27(30-19-17-29(18-20-30)21-24-9-5-2-6-10-24)22-34-25-11-13-26(14-12-25)35(32,33)28-16-15-23-7-3-1-4-8-23/h1-14,28H,15-22H2/p+1