1-(2-chloranyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate

Systemtic Name: 1-(2-chloranyl-4-methylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: 1-(2-chloro-4-methylsulfonyl-phenyl)piperidine-4-carboxylate CAS Name: 1-(2-chloro-4-methylsulfonylphenyl)-4-piperidinecarboxylate IUPAC Name: 1-(2-chloro-4-methylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-chloro-4-mesyl-phenyl)isonipecotate Formula: C13H15ClNO4S- MolecularWeight: 316.7805

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)[O-])Cl

InChI

InChI=1S/C13H16ClNO4S/c1-20(18,19)10-2-3-12(11(14)8-10)15-6-4-9(5-7-15)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)/p-1