N-(2-methyl-1-piperazine-1,4-diium-1-yl-propan-2-yl)benzenesulfonamide

Systemtic Name: N-(2-methyl-1-piperazine-1,4-diium-1-yl-propan-2-yl)benzenesulfonamide Openeye Name: N-(1,1-dimethyl-2-piperazine-1,4-diium-1-yl-ethyl)benzenesulfonamide CAS Name: N-[2-methyl-1-(1-piperazine-1,4-diiumyl)propan-2-yl]benzenesulfonamide IUPAC Name: N-(2-methyl-1-piperazine-1,4-diium-1-ylpropan-2-yl)benzenesulfonamide Traditional Name: N-(1,1-dimethyl-2-piperazine-1,4-diium-1-yl-ethyl)benzenesulfonamide Formula: C14H25N3O2S+2 MolecularWeight: 299.4322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CC[NH2+]CC1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C[NH+]1CC[NH2+]CC1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H23N3O2S/c1-14(2,12-17-10-8-15-9-11-17)16-20(18,19)13-6-4-3-5-7-13/h3-7,15-16H,8-12H2,1-2H3/p+2