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

Systemtic Name: 4-fluoranyl-2-methyl-N-[4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 4-fluoro-2-methyl-N-[4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-fluoro-2-methyl-N-[4-[oxo-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-2-methyl-N-[4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-fluoro-2-methyl-N-[4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C23H29FN3O4S+ MolecularWeight: 462.557463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4CCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C[C@H]4CCCO4

InChI

InChI=1S/C23H28FN3O4S/c1-17-15-19(24)6-9-22(17)32(29,30)25-20-7-4-18(5-8-20)23(28)27-12-10-26(11-13-27)16-21-3-2-14-31-21/h4-9,15,21,25H,2-3,10-14,16H2,1H3/p+1/t21-/m1/s1