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

Systemtic Name: [1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(3,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H20Cl2N2O5S MolecularWeight: 423.3114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H20Cl2N2O5S/c1-10(15(21)19-14-8-12(17)7-13(18)9-14)25-16(22)11-3-5-20(6-4-11)26(2,23)24/h7-11H,3-6H2,1-2H3,(H,19,21)