[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H26ClN3O6S MolecularWeight: 459.94424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H26ClN3O6S/c1-19(2,3)22-18(26)21-16(24)12-29-17(25)13-5-4-10-23(11-13)30(27,28)15-8-6-14(20)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H2,21,22,24,26)