[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24ClN3O6S MolecularWeight: 445.91766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClN3O6S/c1-12(2)20-18(25)21-16(23)11-28-17(24)13-7-9-22(10-8-13)29(26,27)15-5-3-14(19)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H2,20,21,23,25)