5-bromanyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[(2,6-dimethyl-1-piperidyl)sulfonyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(2,6-dimethylpiperidino)sulfonyl-2-thenoic acid Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br)C

InChI

InChI=1S/C12H16BrNO4S2/c1-7-4-3-5-8(2)14(7)20(17,18)10-6-9(12(15)16)19-11(10)13/h6-8H,3-5H2,1-2H3,(H,15,16)