4-methylbenzenesulfonic acid; (phenylmethyl) N-(1-azanyl-2-methyl-propyl)carbamate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) N-(1-azanyl-2-methyl-propyl)carbamate Openeye Name: benzyl N-(1-amino-2-methyl-propyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: N-(1-amino-2-methylpropyl)carbamic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl N-(1-amino-2-methylpropyl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(1-amino-2-methyl-propyl)carbamic acid benzyl ester; tosylic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2.C7H8O3S/c1-9(2)11(13)14-12(15)16-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15);2-5H,1H3,(H,8,9,10)