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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H25NO6S/c1-14-5-11-17(12-6-14)28(24,25)27-16-9-7-15(8-10-16)13-18(22)21-19(23)26-20(2,3)4/h5-12,18,22H,13H2,1-4H3,(H,21,23)