(4-fluorophenyl)methyl-[(1S)-2-[(4-methylphenyl)sulfonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: (4-fluorophenyl)methyl-[(1S)-2-[(4-methylphenyl)sulfonylamino]-1-phenyl-ethyl]azanium Openeye Name: (4-fluorophenyl)methyl-[(1S)-1-phenyl-2-(p-tolylsulfonylamino)ethyl]ammonium CAS Name: (4-fluorophenyl)methyl-[(1S)-2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[(1S)-2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]azanium Traditional Name: (4-fluorobenzyl)-[(1S)-1-phenyl-2-(tosylamino)ethyl]ammonium Formula: C22H24FN2O2S+ MolecularWeight: 399.501563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O2S/c1-17-7-13-21(14-8-17)28(26,27)25-16-22(19-5-3-2-4-6-19)24-15-18-9-11-20(23)12-10-18/h2-14,22,24-25H,15-16H2,1H3/p+1/t22-/m1/s1