4-bromanyl-3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[2-(ethylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-bromo-3-[2-(ethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-bromo-3-[2-(ethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-[2-(ethylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C11H12BrNO5S MolecularWeight: 350.18568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO5S/c1-2-13-10(14)6-19(17,18)9-5-7(11(15)16)3-4-8(9)12/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16)