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

Systemtic Name: 2-hydroxyethyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-(phenylmethyl)azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-benzyl-(2-hydroxyethyl)ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-benzyl-(2-hydroxyethyl)azanium Traditional Name: benzyl-[2-(4-besylpiperazino)-2-keto-ethyl]-(2-hydroxyethyl)ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[NH+](CCO)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C[NH+](CCO)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c25-16-15-22(17-19-7-3-1-4-8-19)18-21(26)23-11-13-24(14-12-23)29(27,28)20-9-5-2-6-10-20/h1-10,25H,11-18H2/p+1