2-[5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]ethanoate

Systemtic Name: 2-[5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]ethanoate Openeye Name: 2-[5-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-thienyl]acetate CAS Name: 2-[5-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-thiophenyl]acetate IUPAC Name: 2-[5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]acetate Traditional Name: 2-[5-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-2-thienyl]acetate Formula: C13H18NO4S2- MolecularWeight: 316.41632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)[O-])C

InChI

InChI=1S/C13H19NO4S2/c1-9-5-10(2)8-14(7-9)20(17,18)13-4-3-11(19-13)6-12(15)16/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)/p-1/t9-,10-/m0/s1