4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide Formula: C13H21N4O5S+ MolecularWeight: 345.39464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O5S/c1-14-23(21,22)11-2-3-12(13(10-11)17(19)20)16-6-4-15(5-7-16)8-9-18/h2-3,10,14,18H,4-9H2,1H3/p+1