4-methylbenzenesulfonic acid; (phenylmethyl) N-(1-azanyl-3-methyl-butyl)carbamate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) N-(1-azanyl-3-methyl-butyl)carbamate Openeye Name: benzyl N-(1-amino-3-methyl-butyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: N-(1-amino-3-methylbutyl)carbamic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl N-(1-amino-3-methylbutyl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(1-amino-3-methyl-butyl)carbamic acid benzyl ester; tosylic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H20N2O2.C7H8O3S/c1-10(2)8-12(14)15-13(16)17-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16);2-5H,1H3,(H,8,9,10)