2-(2-bromanylprop-2-enoylamino)-4,5-dimethyl-benzenesulfonic acid

Systemtic Name: 2-(2-bromanylprop-2-enoylamino)-4,5-dimethyl-benzenesulfonic acid Openeye Name: 2-(2-bromoprop-2-enoylamino)-4,5-dimethyl-benzenesulfonic acid CAS Name: 2-[(2-bromo-1-oxoprop-2-enyl)amino]-4,5-dimethylbenzenesulfonic acid IUPAC Name: 2-(2-bromoprop-2-enoylamino)-4,5-dimethylbenzenesulfonic acid Traditional Name: 2-[(2-bromoacryloyl)amino]-4,5-dimethyl-besylic acid Formula: C11H12BrNO4S MolecularWeight: 334.18628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)O)NC(=O)C(=C)Br

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)O)NC(=O)C(=C)Br

InChI

InChI=1S/C11H12BrNO4S/c1-6-4-9(13-11(14)8(3)12)10(5-7(6)2)18(15,16)17/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16,17)