4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-1H-pyrrole-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)O)C

InChI

InChI=1S/C12H18N2O4S/c1-8-3-9(2)7-14(6-8)19(17,18)10-4-11(12(15)16)13-5-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,15,16)/t8-,9-/m0/s1