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

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) N-(1-oxidanyl-3-phenyl-propan-2-yl)carbamate Openeye Name: benzyl N-(1-benzyl-2-hydroxy-ethyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: N-(1-hydroxy-3-phenylpropan-2-yl)carbamic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)carbamic acid benzyl ester; tosylic acid Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3.C7H8O3S/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16,19H,11-13H2,(H,18,20);2-5H,1H3,(H,8,9,10)