5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-methyl-benzoate

Systemtic Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-methyl-benzoate Openeye Name: 5-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]-2-methyl-benzoate CAS Name: 5-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]-2-methylbenzoate IUPAC Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-methylbenzoate Traditional Name: 5-[(2S,6S)-2,6-dimethylpiperidino]sulfonyl-2-methyl-benzoate Formula: C15H20NO4S- MolecularWeight: 310.3886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-10-7-8-13(9-14(10)15(17)18)21(19,20)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6H2,1-3H3,(H,17,18)/p-1/t11-,12-/m0/s1