2-bromanyl-5-(3-ethylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(3-ethylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-(3-ethylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(3-ethyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3-ethylmorpholino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCC1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO5S/c1-2-9-8-20-6-5-15(9)21(18,19)10-3-4-12(14)11(7-10)13(16)17/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17)