3-bromanyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 3-bromanyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 3-bromo-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-bromo-4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 3-bromo-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[(2S)-2-methylpiperidino]sulfonyl-benzoate Formula: C13H15BrNO4S- MolecularWeight: 361.2315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4S/c1-9-4-2-3-7-15(9)20(18,19)12-6-5-10(13(16)17)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)/p-1/t9-/m0/s1