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

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-2-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-2-phenyl-ethyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-15-10-12-17(13-11-15)27(23,24)25-14-18(16-8-6-5-7-9-16)21-19(22)26-20(2,3)4/h5-13,18H,14H2,1-4H3,(H,21,22)