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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C)C

InChI

InChI=1S/C13H19NO4S2/c1-8-4-9(2)7-14(6-8)20(17,18)11-5-10(3)12(19-11)13(15)16/h5,8-9H,4,6-7H2,1-3H3,(H,15,16)