tert-butyl N-(1-oxidanyl-3-phenyl-propan-2-yl)carbamate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl N-(1-oxidanyl-3-phenyl-propan-2-yl)carbamate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl N-(1-benzyl-2-hydroxy-ethyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)carbamic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)carbamic acid tert-butyl ester; tosylic acid Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CO

InChI

InChI=1S/C14H21NO3.C7H8O3S/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,12,16H,9-10H2,1-3H3,(H,15,17);2-5H,1H3,(H,8,9,10)