3-(2-azanyl-1-oxidanyl-ethyl)-4-fluoranyl-benzenesulfonamide; methanesulfonic acid

Systemtic Name: 3-(2-azanyl-1-oxidanyl-ethyl)-4-fluoranyl-benzenesulfonamide; methanesulfonic acid Openeye Name: 3-(2-amino-1-hydroxy-ethyl)-4-fluoro-benzenesulfonamide; methanesulfonic acid CAS Name: 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide; methanesulfonic acid IUPAC Name: 3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide; methanesulfonic acid Traditional Name: 3-(2-amino-1-hydroxy-ethyl)-4-fluoro-benzenesulfonamide; mesylic acid Formula: C9H15FN2O6S2 MolecularWeight: 330.353603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=C(C=C1S(=O)(=O)N)C(CN)O)F

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=C(C=C1S(=O)(=O)N)C(CN)O)F

InChI

InChI=1S/C8H11FN2O3S.CH4O3S/c9-7-2-1-5(15(11,13)14)3-6(7)8(12)4-10;1-5(2,3)4/h1-3,8,12H,4,10H2,(H2,11,13,14);1H3,(H,2,3,4)