2-chloranyl-N-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-methyl-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N-methyl-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N-methyl-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-20-27(25,26)17-12-15(2-3-16(17)19)18(24)23-10-8-22(9-11-23)13-14-4-6-21-7-5-14/h2-7,12,20H,8-11,13H2,1H3/p+1