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

Systemtic Name: 5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-benzenesulfonamide Openeye Name: 5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)S(=O)(=O)N

InChI

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