tert-butyl 2-(3-pyrimidin-2-ylsulfonylpropanoylamino)hexanoate

Systemtic Name: tert-butyl 2-(3-pyrimidin-2-ylsulfonylpropanoylamino)hexanoate Openeye Name: tert-butyl 2-(3-pyrimidin-2-ylsulfonylpropanoylamino)hexanoate CAS Name: 2-[[1-oxo-3-(2-pyrimidinylsulfonyl)propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-pyrimidin-2-ylsulfonylpropanoylamino)hexanoate Traditional Name: 2-[3-(2-pyrimidylsulfonyl)propanoylamino]hexanoic acid tert-butyl ester Formula: C17H27N3O5S MolecularWeight: 385.47838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)CCS(=O)(=O)C1=NC=CC=N1

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)CCS(=O)(=O)C1=NC=CC=N1

InChI

InChI=1S/C17H27N3O5S/c1-5-6-8-13(15(22)25-17(2,3)4)20-14(21)9-12-26(23,24)16-18-10-7-11-19-16/h7,10-11,13H,5-6,8-9,12H2,1-4H3,(H,20,21)