2-bromanyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 2-bromanyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 2-bromo-5-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2-bromo-5-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 2-bromo-5-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-bromo-5-[(2R)-2-methylpiperidino]sulfonyl-benzoate Formula: C13H15BrNO4S- MolecularWeight: 361.2315

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO4S/c1-9-4-2-3-7-15(9)20(18,19)10-5-6-12(14)11(8-10)13(16)17/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)/p-1/t9-/m1/s1