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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S2/c1-12(2)10-18-17(23)19-14(21)11-26-16(22)13-5-7-20(8-6-13)28(24,25)15-4-3-9-27-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,18,19,21,23)