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

Systemtic Name: 2,4-bis(chloranyl)-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2,4-dichloro-5-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid Formula: C13H15Cl2NO4S MolecularWeight: 352.2335

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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)/t8-/m0/s1