N-[3-[(1S)-2-azanyl-1-oxidanyl-ethyl]-4-fluoranyl-phenyl]methanesulfonamide dihydrate hydrochloride

Systemtic Name: N-[3-[(1S)-2-azanyl-1-oxidanyl-ethyl]-4-fluoranyl-phenyl]methanesulfonamide dihydrate hydrochloride Openeye Name: N-[3-[(1S)-2-amino-1-hydroxy-ethyl]-4-fluoro-phenyl]methanesulfonamide dihydrate hydrochloride CAS Name: N-[3-[(1S)-2-amino-1-hydroxyethyl]-4-fluorophenyl]methanesulfonamide dihydrate hydrochloride IUPAC Name: N-[3-[(1S)-2-amino-1-hydroxyethyl]-4-fluorophenyl]methanesulfonamide dihydrate hydrochloride Traditional Name: N-[3-[(1S)-2-amino-1-hydroxy-ethyl]-4-fluoro-phenyl]methanesulfonamide dihydrate hydrochloride Formula: C9H18ClFN2O5S MolecularWeight: 320.766023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)F)C(CN)O.O.O.Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)F)[C@@H](CN)O.O.O.Cl

InChI

InChI=1S/C9H13FN2O3S.ClH.2H2O/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11;;;/h2-4,9,12-13H,5,11H2,1H3;1H;2*1H2/t9-;;;/m1.../s1