[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O6S/c1-13(2)10-20-18(25)21-16(23)12-28-17(24)14-5-8-22(9-6-14)29(26,27)15-4-3-7-19-11-15/h3-4,7,11,13-14H,5-6,8-10,12H2,1-2H3,(H2,20,21,23,25)