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

Systemtic Name: 2-bromanyl-5-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-(ethylamino)-2-keto-1-methyl-ethyl]sulfonyl-benzoic acid Formula: C12H14BrNO5S MolecularWeight: 364.21226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCNC(=O)C(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO5S/c1-3-14-11(15)7(2)20(18,19)8-4-5-10(13)9(6-8)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)