[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-3-hydroxy-propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl] ester IUPAC Name: [4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(tert-butoxycarbonylamino)-3-hydroxy-propyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-15-5-11-19(12-6-15)29(25,26)28-18-9-7-16(8-10-18)13-17(14-23)22-20(24)27-21(2,3)4/h5-12,17,23H,13-14H2,1-4H3,(H,22,24)