4-bromanyl-3-(2-morpholin-4-ylethylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(2-morpholin-4-ylethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(2-morpholinoethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-[2-(4-morpholinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(2-morpholin-4-ylethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(2-morpholinoethylsulfonyl)benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1COCCN1CCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO5S/c14-11-2-1-10(13(16)17)9-12(11)21(18,19)8-5-15-3-6-20-7-4-15/h1-2,9H,3-8H2,(H,16,17)