5-bromanyl-4-(3-ethylpiperidin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(3-ethylpiperidin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[(3-ethyl-1-piperidyl)sulfonyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(3-ethyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(3-ethylpiperidino)sulfonyl-2-thenoic acid Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

CCC1CCCN(C1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

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