2-(aminomethyl)-3-(4-fluorophenyl)propane-1-sulfonic acid

Systemtic Name: 2-(aminomethyl)-3-(4-fluorophenyl)propane-1-sulfonic acid Openeye Name: 2-(aminomethyl)-3-(4-fluorophenyl)propane-1-sulfonic acid CAS Name: 2-(aminomethyl)-3-(4-fluorophenyl)-1-propanesulfonic acid IUPAC Name: 2-(aminomethyl)-3-(4-fluorophenyl)propane-1-sulfonic acid Traditional Name: 2-(aminomethyl)-3-(4-fluorophenyl)propane-1-sulfonic acid Formula: C10H14FNO3S MolecularWeight: 247.286463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN)CS(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC(CN)CS(=O)(=O)O)F

InChI

InChI=1S/C10H14FNO3S/c11-10-3-1-8(2-4-10)5-9(6-12)7-16(13,14)15/h1-4,9H,5-7,12H2,(H,13,14,15)