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

Systemtic Name: methyl (2S)-2-[(4-bromanyl-2-methyl-phenyl)sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoate Openeye Name: methyl (2S)-2-[(4-bromo-2-methyl-phenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromo-2-methylphenyl)sulfonylamino]-3-(3-hydroxypropylthio)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-bromo-2-methylphenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromo-2-methyl-phenyl)sulfonylamino]-3-(3-hydroxypropylthio)-3-methyl-butyric acid methyl ester Formula: C16H24BrNO5S2 MolecularWeight: 454.39946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC(C(=O)OC)C(C)(C)SCCCO

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)N[C@@H](C(=O)OC)C(C)(C)SCCCO

InChI

InChI=1S/C16H24BrNO5S2/c1-11-10-12(17)6-7-13(11)25(21,22)18-14(15(20)23-4)16(2,3)24-9-5-8-19/h6-7,10,14,18-19H,5,8-9H2,1-4H3/t14-/m0/s1