(3-azanyl-4-methyl-4-oxidanyl-pentan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-azanyl-4-methyl-4-oxidanyl-pentan-2-yl) 4-methylbenzenesulfonate Openeye Name: (2-amino-3-hydroxy-1,3-dimethyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-amino-4-hydroxy-4-methylpentan-2-yl) ester IUPAC Name: (3-amino-4-hydroxy-4-methylpentan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-amino-3-hydroxy-1,3-dimethyl-butyl) ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(C)(C)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(C)(C)O)N

InChI

InChI=1S/C13H21NO4S/c1-9-5-7-11(8-6-9)19(16,17)18-10(2)12(14)13(3,4)15/h5-8,10,12,15H,14H2,1-4H3