2-bromanyl-5-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]sulfonyl-benzoic acid Formula: C13H14BrNO5S MolecularWeight: 376.22296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C(=O)NC1CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO5S/c1-7(12(16)15-8-2-3-8)21(19,20)9-4-5-11(14)10(6-9)13(17)18/h4-8H,2-3H2,1H3,(H,15,16)(H,17,18)