(4-bromophenyl)sulfonyl 2-azanyl-3-methyl-3-(2-oxidanylpropylsulfanyl)butanoate

Systemtic Name: (4-bromophenyl)sulfonyl 2-azanyl-3-methyl-3-(2-oxidanylpropylsulfanyl)butanoate Openeye Name: (4-bromophenyl)sulfonyl 2-amino-3-(2-hydroxypropylsulfanyl)-3-methyl-butanoate CAS Name: 2-amino-3-(2-hydroxypropylthio)-3-methylbutanoic acid (4-bromophenyl)sulfonyl ester IUPAC Name: (4-bromophenyl)sulfonyl 2-amino-3-(2-hydroxypropylsulfanyl)-3-methylbutanoate Traditional Name: 2-amino-3-(2-hydroxypropylthio)-3-methyl-butyric acid brosyl ester Formula: C14H20BrNO5S2 MolecularWeight: 426.3463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(C)(C)C(C(=O)OS(=O)(=O)C1=CC=C(C=C1)Br)N)O

Isomeric SMILES

CC(CSC(C)(C)C(C(=O)OS(=O)(=O)C1=CC=C(C=C1)Br)N)O

InChI

InChI=1S/C14H20BrNO5S2/c1-9(17)8-22-14(2,3)12(16)13(18)21-23(19,20)11-6-4-10(15)5-7-11/h4-7,9,12,17H,8,16H2,1-3H3