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

Systemtic Name: N-(4-fluorophenyl)-2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-fluorophenyl)-2-methyl-benzenesulfonamide CAS Name: N-(4-fluorophenyl)-2-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-fluorophenyl)-2-methyl-benzenesulfonamide Formula: C25H27FN3O3S+ MolecularWeight: 468.563583

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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)S(=O)(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O3S/c1-19-7-8-21(17-24(19)33(31,32)27-23-11-9-22(26)10-12-23)25(30)29-15-13-28(14-16-29)18-20-5-3-2-4-6-20/h2-12,17,27H,13-16,18H2,1H3/p+1