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

Systemtic Name: 2-chloranyl-N-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-methyl-benzenesulfonamide CAS Name: 2-chloro-N-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-methyl-benzenesulfonamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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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=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S/c1-21-27(25,26)18-13-16(7-8-17(18)20)19(24)23-11-9-22(10-12-23)14-15-5-3-2-4-6-15/h2-8,13,21H,9-12,14H2,1H3/p+1