4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C

InChI

InChI=1S/C12H18N2O5S/c1-8-5-14(6-9(2)19-8)20(17,18)10-4-11(12(15)16)13(3)7-10/h4,7-9H,5-6H2,1-3H3,(H,15,16)/t8-,9-/m1/s1