2-(2-fluoranylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(2-fluorophenoxy)ethyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: 2-(2-fluorophenoxy)ethyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: 2-(2-fluorophenoxy)ethyl-methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: 2-(2-fluorophenoxy)ethyl-[(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C18H23FN3O4S+ MolecularWeight: 396.456323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCOC2=CC=CC=C2F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCOC2=CC=CC=C2F

InChI

InChI=1S/C18H22FN3O4S/c1-13(22(2)11-12-26-17-6-4-3-5-16(17)19)18(23)21-14-7-9-15(10-8-14)27(20,24)25/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H2,20,24,25)/p+1/t13-/m0/s1