2,4-bis(chloranyl)-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 2,4-bis(chloranyl)-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 2,4-dichloro-5-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2,4-dichloro-5-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 2,4-dichloro-5-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2,4-dichloro-5-[(3S)-3-methylpiperidino]sulfonyl-benzoate Formula: C13H14Cl2NO4S- MolecularWeight: 351.22556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2NO4S/c1-8-3-2-4-16(7-8)21(19,20)12-5-9(13(17)18)10(14)6-11(12)15/h5-6,8H,2-4,7H2,1H3,(H,17,18)/p-1/t8-/m0/s1