[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(3,5-dichloroanilino)-2-keto-ethyl] ester Formula: C15H18Cl2N2O5S MolecularWeight: 409.28482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C15H18Cl2N2O5S/c1-25(22,23)19-4-2-10(3-5-19)15(21)24-9-14(20)18-13-7-11(16)6-12(17)8-13/h6-8,10H,2-5,9H2,1H3,(H,18,20)