3-methyl-N-(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethyl)benzenesulfonamide

Systemtic Name: 3-methyl-N-(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethyl)benzenesulfonamide Openeye Name: 3-methyl-N-(2-oxo-2-piperazin-4-ium-1-yl-ethyl)benzenesulfonamide CAS Name: 3-methyl-N-[2-oxo-2-(1-piperazin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-methyl-N-(2-oxo-2-piperazin-4-ium-1-ylethyl)benzenesulfonamide Traditional Name: N-(2-keto-2-piperazin-4-ium-1-yl-ethyl)-3-methyl-benzenesulfonamide Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C13H19N3O3S/c1-11-3-2-4-12(9-11)20(18,19)15-10-13(17)16-7-5-14-6-8-16/h2-4,9,14-15H,5-8,10H2,1H3/p+1