tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-sulfanyl-propanoate

Systemtic Name: tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-sulfanyl-propanoate Openeye Name: tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-sulfanyl-propanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-mercaptopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-sulfanylpropanoate Traditional Name: 2-(brosylamino)-3-mercapto-propionic acid tert-butyl ester Formula: C13H18BrNO4S2 MolecularWeight: 396.32032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CS)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(CS)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H18BrNO4S2/c1-13(2,3)19-12(16)11(8-20)15-21(17,18)10-6-4-9(14)5-7-10/h4-7,11,15,20H,8H2,1-3H3