2-bromanyl-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(isopropylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-(isopropylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C12H14BrNO5S MolecularWeight: 364.21226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)NC(=O)CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO5S/c1-7(2)14-11(15)6-20(18,19)8-3-4-10(13)9(5-8)12(16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)