tert-butyl 2-azanyl-2-(4-methoxyphenyl)ethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl 2-azanyl-2-(4-methoxyphenyl)ethanoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl 2-amino-2-(4-methoxyphenyl)acetate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-(4-methoxyphenyl)acetic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl 2-amino-2-(4-methoxyphenyl)acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-2-(4-methoxyphenyl)acetic acid tert-butyl ester; tosylic acid Formula: C20H27NO6S MolecularWeight: 409.49648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3.C7H8O3S/c1-13(2,3)17-12(15)11(14)9-5-7-10(16-4)8-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,11H,14H2,1-4H3;2-5H,1H3,(H,8,9,10)