[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl] ester Formula: C20H28Cl2N2O5S MolecularWeight: 479.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H28Cl2N2O5S/c1-3-4-15(17-6-5-16(21)11-18(17)22)12-23-19(25)13-29-20(26)14-7-9-24(10-8-14)30(2,27)28/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,23,25)