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

Systemtic Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl] 4-methylbenzenesulfonate; piperidine Openeye Name: [3-[(tert-butoxycarbonylamino)methyl]phenyl] 4-methylbenzenesulfonate; piperidine CAS Name: 4-methylbenzenesulfonic acid [3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl] ester; piperidine IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl] 4-methylbenzenesulfonate; piperidine Traditional Name: 4-methylbenzenesulfonic acid [3-[(tert-butoxycarbonylamino)methyl]phenyl] ester; piperidine Formula: C24H34N2O5S MolecularWeight: 462.60216

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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.C1CCNCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNC(=O)OC(C)(C)C.C1CCNCC1

InChI

InChI=1S/C19H23NO5S.C5H11N/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;1-2-4-6-5-3-1/h5-12H,13H2,1-4H3,(H,20,21);6H,1-5H2