2-azanyl-4-(2-bromanylprop-2-enoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(2-bromanylprop-2-enoylamino)benzenesulfonic acid Openeye Name: 2-amino-4-(2-bromoprop-2-enoylamino)benzenesulfonic acid CAS Name: 2-amino-4-[(2-bromo-1-oxoprop-2-enyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-(2-bromoprop-2-enoylamino)benzenesulfonic acid Traditional Name: 2-amino-4-[(2-bromoacryloyl)amino]besylic acid Formula: C9H9BrN2O4S MolecularWeight: 321.14776

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N)Br

Isomeric SMILES

C=C(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N)Br

InChI

InChI=1S/C9H9BrN2O4S/c1-5(10)9(13)12-6-2-3-8(7(11)4-6)17(14,15)16/h2-4H,1,11H2,(H,12,13)(H,14,15,16)