(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-bromophenyl)sulfonylamino]-3-hydroxy-propanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate Traditional Name: 2-(brosylamino)-3-hydroxy-propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H20BrNO6S MolecularWeight: 422.2914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CO)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C(CO)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H20BrNO6S/c1-15(2,3)13(19)9-23-14(20)12(8-18)17-24(21,22)11-6-4-10(16)5-7-11/h4-7,12,17-18H,8-9H2,1-3H3