[2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C19H25FN3O3S+ MolecularWeight: 394.483503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H24FN3O3S/c1-22(2)13-16-7-5-4-6-15(16)12-21-19(24)14-23(3)27(25,26)18-10-8-17(20)9-11-18/h4-11H,12-14H2,1-3H3,(H,21,24)/p+1