3,4-bis(chloranyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzenesulfonamide

Systemtic Name: 3,4-bis(chloranyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzenesulfonamide Openeye Name: 3,4-dichloro-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzenesulfonamide CAS Name: 3,4-dichloro-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dichloro-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzenesulfonamide Traditional Name: 3,4-dichloro-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzenesulfonamide Formula: C17H21Cl2N4O2S+ MolecularWeight: 416.34524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H20Cl2N4O2S/c1-22-6-8-23(9-7-22)17-5-2-13(11-20-17)12-21-26(24,25)14-3-4-15(18)16(19)10-14/h2-5,10-11,21H,6-9,12H2,1H3/p+1