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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-22(16-17-28-19-8-4-2-5-9-19)18-21(25)23-12-14-24(15-13-23)29(26,27)20-10-6-3-7-11-20/h2-11H,12-18H2,1H3/p+1