4-methyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: 4-methyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-methyl-5-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2-hydroxy-4-methyl-5-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 2-hydroxy-4-methyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-hydroxy-4-methyl-5-[(3S)-3-methylpiperidino]sulfonyl-benzoate Formula: C14H18NO5S- MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-9-4-3-5-15(8-9)21(19,20)13-7-11(14(17)18)12(16)6-10(13)2/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,18)/p-1/t9-/m0/s1