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

Systemtic Name: 2-chloranyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 2-chloro-5-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2-chloro-5-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 2-chloro-5-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-chloro-5-[(3S)-3-methylpiperidino]sulfonyl-benzoate Formula: C13H15ClNO4S- MolecularWeight: 316.7805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4S/c1-9-3-2-6-15(8-9)20(18,19)10-4-5-12(14)11(7-10)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/p-1/t9-/m0/s1