5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-methyl-benzoate

Systemtic Name: 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-methyl-benzoate Openeye Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-methyl-benzoate CAS Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-methylbenzoate IUPAC Name: 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-methylbenzoate Traditional Name: 5-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-2-methyl-benzoate Formula: C15H20NO4S- MolecularWeight: 310.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-10-6-11(2)9-16(8-10)21(19,20)13-5-4-12(3)14(7-13)15(17)18/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,18)/p-1/t10-,11-/m0/s1