[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H24Cl2N2O5S MolecularWeight: 451.36456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24Cl2N2O5S/c1-11(15-5-4-14(19)10-16(15)20)21-17(23)12(2)27-18(24)13-6-8-22(9-7-13)28(3,25)26/h4-5,10-13H,6-9H2,1-3H3,(H,21,23)