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

Systemtic Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-[(2S,6S)-2,6-dimethylpiperidino]sulfonyl-1-methyl-pyrrole-2-carboxylate Formula: C13H19N2O4S- MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S/c1-9-5-4-6-10(2)15(9)20(18,19)11-7-12(13(16)17)14(3)8-11/h7-10H,4-6H2,1-3H3,(H,16,17)/p-1/t9-,10-/m0/s1