[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl] ester IUPAC Name: [(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H29NO5S/c1-13-8-10-14(11-9-13)25(21,22)23-12-15(17(2,3)4)19-16(20)24-18(5,6)7/h8-11,15H,12H2,1-7H3,(H,19,20)/t15-/m1/s1