N-(4-fluorophenyl)-4-methyl-N-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-4-methyl-N-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methyl-benzenesulfonamide CAS Name: N-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methylbenzenesulfonamide Traditional Name: N-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methyl-benzenesulfonamide Formula: C21H29FN3O3S+ MolecularWeight: 422.536663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CC[NH+](CC2)C)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](CN2CC[NH+](CC2)C)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN3O3S/c1-17-3-9-21(10-4-17)29(27,28)25(19-7-5-18(22)6-8-19)16-20(26)15-24-13-11-23(2)12-14-24/h3-10,20,26H,11-16H2,1-2H3/p+1/t20-/m0/s1