(2S)-2-[[2,5-bis(bromanyl)phenyl]sulfonylamino]hexanedioic acid

Systemtic Name: (2S)-2-[[2,5-bis(bromanyl)phenyl]sulfonylamino]hexanedioic acid Openeye Name: (2S)-2-[(2,5-dibromophenyl)sulfonylamino]hexanedioic acid CAS Name: (2S)-2-[(2,5-dibromophenyl)sulfonylamino]hexanedioic acid IUPAC Name: (2S)-2-[(2,5-dibromophenyl)sulfonylamino]hexanedioic acid Traditional Name: (2S)-2-[(2,5-dibromophenyl)sulfonylamino]adipic acid Formula: C12H13Br2NO6S MolecularWeight: 459.10772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)S(=O)(=O)NC(CCCC(=O)O)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1Br)S(=O)(=O)N[C@@H](CCCC(=O)O)C(=O)O)Br

InChI

InChI=1S/C12H13Br2NO6S/c13-7-4-5-8(14)10(6-7)22(20,21)15-9(12(18)19)2-1-3-11(16)17/h4-6,9,15H,1-3H2,(H,16,17)(H,18,19)/t9-/m0/s1