1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-(2,4-dichloro-3-methyl-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(2,4-dichloro-3-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dichloro-3-methyl-phenyl)sulfonylisonipecotate Formula: C13H14Cl2NO4S- MolecularWeight: 351.22556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CCC(CC2)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CCC(CC2)C(=O)[O-])Cl

InChI

InChI=1S/C13H15Cl2NO4S/c1-8-10(14)2-3-11(12(8)15)21(19,20)16-6-4-9(5-7-16)13(17)18/h2-3,9H,4-7H2,1H3,(H,17,18)/p-1