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

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S/c1-9-4-10(2)7-15(6-9)20(18,19)11-5-12(13(16)17)14(3)8-11/h5,8-10H,4,6-7H2,1-3H3,(H,16,17)/t9-,10-/m0/s1