(butoxycarbonylamino) 3-(2-fluorophenyl)propane-1-sulfonate

Systemtic Name: (butoxycarbonylamino) 3-(2-fluorophenyl)propane-1-sulfonate Openeye Name: (butoxycarbonylamino) 3-(2-fluorophenyl)propane-1-sulfonate CAS Name: 3-(2-fluorophenyl)-1-propanesulfonic acid IUPAC Name: (butoxycarbonylamino) 3-(2-fluorophenyl)propane-1-sulfonate Traditional Name: 3-(2-fluorophenyl)propane-1-sulfonic acid (butoxycarbonylamino) ester Formula: C14H20FNO5S MolecularWeight: 333.375703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NOS(=O)(=O)CCCC1=CC=CC=C1F

Isomeric SMILES

CCCCOC(=O)NOS(=O)(=O)CCCC1=CC=CC=C1F

InChI

InChI=1S/C14H20FNO5S/c1-2-3-10-20-14(17)16-21-22(18,19)11-6-8-12-7-4-5-9-13(12)15/h4-5,7,9H,2-3,6,8,10-11H2,1H3,(H,16,17)