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

Systemtic Name: N-(4-fluorophenyl)-4-methyl-N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-4-methylbenzenesulfonamide Traditional Name: N-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-4-methyl-benzenesulfonamide Formula: C20H27FN3O3S+ MolecularWeight: 408.510083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CC[NH2+]CC2)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](CN2CC[NH2+]CC2)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN3O3S/c1-16-2-8-20(9-3-16)28(26,27)24(18-6-4-17(21)5-7-18)15-19(25)14-23-12-10-22-11-13-23/h2-9,19,22,25H,10-15H2,1H3/p+1/t19-/m1/s1