2-chloranyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-5-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

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