(2S,3S)-2-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methyl-valerate Formula: C12H14Br2NO4S- MolecularWeight: 428.11686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NS(=O)(=O)C1=C(C=CC(=C1)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H15Br2NO4S/c1-3-7(2)11(12(16)17)15-20(18,19)10-6-8(13)4-5-9(10)14/h4-7,11,15H,3H2,1-2H3,(H,16,17)/p-1/t7-,11-/m0/s1