2-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-fluoranyl-phenyl]ethylazanium

Systemtic Name: 2-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-fluoranyl-phenyl]ethylazanium Openeye Name: 2-[4-fluoro-3-[[(1S)-1-methylpropyl]sulfamoyl]phenyl]ethylammonium CAS Name: 2-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-fluorophenyl]ethylammonium IUPAC Name: 2-[3-[[(2S)-butan-2-yl]sulfamoyl]-4-fluorophenyl]ethylazanium Traditional Name: 2-[4-fluoro-3-[[(1S)-1-methylpropyl]sulfamoyl]phenyl]ethylammonium Formula: C12H20FN2O2S+ MolecularWeight: 275.362803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=C(C=CC(=C1)CC[NH3+])F

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=C(C=CC(=C1)CC[NH3+])F

InChI

InChI=1S/C12H19FN2O2S/c1-3-9(2)15-18(16,17)12-8-10(6-7-14)4-5-11(12)13/h4-5,8-9,15H,3,6-7,14H2,1-2H3/p+1/t9-/m0/s1