3-bromanyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 3-bromanyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 3-bromo-4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-bromo-4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 3-bromo-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-benzoate Formula: C14H17BrNO4S- MolecularWeight: 375.25808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)13-4-3-11(14(17)18)6-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1