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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

InChI

InChI=1S/C13H19NO4S2/c1-3-10-6-4-5-7-14(10)20(17,18)11-8-9(2)12(19-11)13(15)16/h8,10H,3-7H2,1-2H3,(H,15,16)