[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-ethyl]phenyl] benzenesulfonate

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-ethyl]phenyl] benzenesulfonate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[2-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[2-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]phenyl] ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C19H23NO6S/c1-19(2,3)25-18(22)20-17(21)13-14-9-11-15(12-10-14)26-27(23,24)16-7-5-4-6-8-16/h4-12,17,21H,13H2,1-3H3,(H,20,22)