3-bromanyl-4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 3-bromanyl-4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 3-bromo-4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-bromo-4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 3-bromo-4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[(2S,6S)-2,6-dimethylpiperidino]sulfonyl-benzoate Formula: C14H17BrNO4S- MolecularWeight: 375.25808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4S/c1-9-4-3-5-10(2)16(9)21(19,20)13-7-6-11(14(17)18)8-12(13)15/h6-10H,3-5H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1