2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-thiophene-3-carboxylate

Systemtic Name: 2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-thiophene-3-carboxylate Openeye Name: 2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]thiophene-3-carboxylate CAS Name: 2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-3-thiophenecarboxylate IUPAC Name: 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-3-thenoate Formula: C12H15ClNO4S2- MolecularWeight: 336.8348

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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

C[C@@H]1C[C@H](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)/p-1/t7-,8-/m1/s1