[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propyl]-1,2-oxazol-3-yl] benzenesulfonate

Systemtic Name: [5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propyl]-1,2-oxazol-3-yl] benzenesulfonate Openeye Name: [5-[2-(tert-butoxycarbonylamino)-3-hydroxy-propyl]isoxazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-3-isoxazolyl] ester IUPAC Name: [5-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,2-oxazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-[2-(tert-butoxycarbonylamino)-3-hydroxy-propyl]isoxazol-3-yl] ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=NO1)OS(=O)(=O)C2=CC=CC=C2)CO

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=NO1)OS(=O)(=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C17H22N2O7S/c1-17(2,3)24-16(21)18-12(11-20)9-13-10-15(19-25-13)26-27(22,23)14-7-5-4-6-8-14/h4-8,10,12,20H,9,11H2,1-3H3,(H,18,21)