2-chloranyl-N-methyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-methyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-methyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-N-methyl-5-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-methyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-N-methyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C17H20ClN4O3S+ MolecularWeight: 395.8837

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl

InChI

InChI=1S/C17H19ClN4O3S/c1-19-26(24,25)16-12-13(2-3-15(16)18)17(23)22-10-8-21(9-11-22)14-4-6-20-7-5-14/h2-7,12,19H,8-11H2,1H3/p+1