3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(4-fluorophenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-[(4-fluorobenzyl)amino]propane-1-sulfonic acid Formula: C10H14FNO3S MolecularWeight: 247.286463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCCS(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CNCCCS(=O)(=O)O)F

InChI

InChI=1S/C10H14FNO3S/c11-10-4-2-9(3-5-10)8-12-6-1-7-16(13,14)15/h2-5,12H,1,6-8H2,(H,13,14,15)