3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1-sulfonic acid

Systemtic Name: 3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1-sulfonic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propane-1-sulfonic acid CAS Name: 3-(2-fluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1-sulfonic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propane-1-sulfonic acid Formula: C14H20FNO5S MolecularWeight: 333.375703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1F)CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1F)CS(=O)(=O)O

InChI

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