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

Systemtic Name: 2-chloranyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-thiophene-3-carboxylic acid Openeye Name: 2-chloro-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]thiophene-3-carboxylic acid CAS Name: 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid Traditional Name: 2-chloro-5-(3,5-dimethylpiperidino)sulfonyl-3-thenoic acid Formula: C12H16ClNO4S2 MolecularWeight: 337.84274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO4S2/c1-7-3-8(2)6-14(5-7)20(17,18)10-4-9(12(15)16)11(13)19-10/h4,7-8H,3,5-6H2,1-2H3,(H,15,16)