[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(isopropoxycarbonylamino)-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-methyl-2-[[oxo(propan-2-yloxy)methyl]amino]butyl] ester IUPAC Name: [(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(isopropoxycarbonylamino)-3-methyl-butyl] ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO5S/c1-11(2)15(17-16(18)22-12(3)4)10-21-23(19,20)14-8-6-13(5)7-9-14/h6-9,11-12,15H,10H2,1-5H3,(H,17,18)/t15-/m1/s1