4-fluoranyl-2-methyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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