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

Systemtic Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(tert-butoxycarbonylamino)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(tert-butoxycarbonylamino)methyl]phenyl] ester Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S/c1-14-8-10-17(11-9-14)26(22,23)25-16-7-5-6-15(12-16)13-20-18(21)24-19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)