[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H25N3O6S2 MolecularWeight: 431.5269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H25N3O6S2/c1-17(2,3)19-16(23)18-13(21)11-26-15(22)12-6-8-20(9-7-12)28(24,25)14-5-4-10-27-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,18,19,21,23)