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

Systemtic Name: 5-(3-ethylpiperidin-1-yl)sulfonyl-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(3-ethyl-1-piperidyl)sulfonyl]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[(3-ethyl-1-piperidinyl)sulfonyl]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(3-ethylpiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid Traditional Name: 5-(3-ethylpiperidino)sulfonyl-3-methyl-2-thenoic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

Isomeric SMILES

CCC1CCCN(C1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

InChI

InChI=1S/C13H19NO4S2/c1-3-10-5-4-6-14(8-10)20(17,18)11-7-9(2)12(19-11)13(15)16/h7,10H,3-6,8H2,1-2H3,(H,15,16)