ethyl 2-deuterio-2-pyrimidin-2-ylsulfonyl-octanoate

Systemtic Name: ethyl 2-deuterio-2-pyrimidin-2-ylsulfonyl-octanoate Openeye Name: ethyl 2-deuterio-2-pyrimidin-2-ylsulfonyl-octanoate CAS Name: 2-deuterio-2-(2-pyrimidinylsulfonyl)octanoic acid ethyl ester IUPAC Name: ethyl 2-deuterio-2-pyrimidin-2-ylsulfonyloctanoate Traditional Name: 2-deuterio-2-(2-pyrimidylsulfonyl)caprylic acid ethyl ester Formula: C14H22N2O4S MolecularWeight: 315.406642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)S(=O)(=O)C1=NC=CC=N1

Isomeric SMILES

[2H]C(CCCCCC)(C(=O)OCC)S(=O)(=O)C1=NC=CC=N1

InChI

InChI=1S/C14H22N2O4S/c1-3-5-6-7-9-12(13(17)20-4-2)21(18,19)14-15-10-8-11-16-14/h8,10-12H,3-7,9H2,1-2H3/i12D