2-azanyl-3-[[(E)-3-bromanylprop-2-enoyl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-3-[[(E)-3-bromanylprop-2-enoyl]amino]benzenesulfonic acid Openeye Name: 2-amino-3-[[(E)-3-bromoprop-2-enoyl]amino]benzenesulfonic acid CAS Name: 2-amino-3-[[(E)-3-bromo-1-oxoprop-2-enyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-3-[[(E)-3-bromoprop-2-enoyl]amino]benzenesulfonic acid Traditional Name: 2-amino-3-[[(E)-3-bromoacryloyl]amino]besylic acid Formula: C9H9BrN2O4S MolecularWeight: 321.14776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)N)NC(=O)C=CBr

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)N)NC(=O)/C=C/Br

InChI

InChI=1S/C9H9BrN2O4S/c10-5-4-8(13)12-6-2-1-3-7(9(6)11)17(14,15)16/h1-5H,11H2,(H,12,13)(H,14,15,16)/b5-4+