ethyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-(phenylmethyl)azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-benzyl-ethylazanium Traditional Name: benzyl-[2-(4-besylpiperazino)-2-keto-ethyl]-ethyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-22(17-19-9-5-3-6-10-19)18-21(25)23-13-15-24(16-14-23)28(26,27)20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3/p+1