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

Systemtic Name: 3-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(3-methyl-1-piperidyl)sulfonyl]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(3-methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(3-methylpiperidino)sulfonyl-2-thenoic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(S2)C(=O)O)C

InChI

InChI=1S/C12H17NO4S2/c1-8-4-3-5-13(7-8)19(16,17)10-6-9(2)11(18-10)12(14)15/h6,8H,3-5,7H2,1-2H3,(H,14,15)