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

Systemtic Name: [2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-2-cyano-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl] ester IUPAC Name: [2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-2-cyano-ethyl] ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-11-5-7-13(8-6-11)23(19,20)21-10-12(9-16)17-14(18)22-15(2,3)4/h5-8,12H,10H2,1-4H3,(H,17,18)