4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C19H22ClFN3O3S+ MolecularWeight: 426.912683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H21ClFN3O3S/c1-14-5-7-15(8-6-14)28(26,27)22-19(25)24-11-9-23(10-12-24)13-16-17(20)3-2-4-18(16)21/h2-8H,9-13H2,1H3,(H,22,25)/p+1