4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-N-phenethyl-benzenesulfonamide

Systemtic Name: 4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-N-phenethyl-benzenesulfonamide Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-phenethyl-benzenesulfonamide CAS Name: 4-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-N-phenethylbenzenesulfonamide IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-phenethylbenzenesulfonamide Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-phenethyl-benzenesulfonamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c32-28(31-21-19-30(20-22-31)23-26-9-5-2-6-10-26)16-13-25-11-14-27(15-12-25)35(33,34)29-18-17-24-7-3-1-4-8-24/h1-12,14-15,29H,13,16-23H2/p+1