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

Systemtic Name: 3-ethanoyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 3-acetyl-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]benzenesulfonamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-18(26)20-8-5-9-21(16-20)30(28,29)23-11-10-22(27)25-14-12-24(13-15-25)17-19-6-3-2-4-7-19/h2-9,16,23H,10-15,17H2,1H3/p+1