methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoate

Systemtic Name: methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoate Openeye Name: methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-(3-hydroxypropylthio)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-(3-hydroxypropylthio)-3-methyl-butyric acid methyl ester Formula: C15H22BrNO5S2 MolecularWeight: 440.37288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)([C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)Br)SCCCO

InChI

InChI=1S/C15H22BrNO5S2/c1-15(2,23-10-4-9-18)13(14(19)22-3)17-24(20,21)12-7-5-11(16)6-8-12/h5-8,13,17-18H,4,9-10H2,1-3H3/t13-/m0/s1