4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(2S,6S)-2,6-dimethylpiperidino]sulfonyl-1H-pyrrole-2-carboxylate Formula: C12H17N2O4S- MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CNC(=C2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CNC(=C2)C(=O)[O-])C

InChI

InChI=1S/C12H18N2O4S/c1-8-4-3-5-9(2)14(8)19(17,18)10-6-11(12(15)16)13-7-10/h6-9,13H,3-5H2,1-2H3,(H,15,16)/p-1/t8-,9-/m0/s1