(2R)-4-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrimidin-5-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrimidin-5-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxo-3-piperidyl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(5-pyrimidinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(3S)-2-keto-3-piperidyl]-4-mesyl-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Formula: C16H22N6O5S MolecularWeight: 410.44808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)NC2CCCNC2=O)C(=O)C3=CN=CN=C3

Isomeric SMILES

CS(=O)(=O)N1CCN([C@H](C1)C(=O)N[C@H]2CCCNC2=O)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C16H22N6O5S/c1-28(26,27)21-5-6-22(16(25)11-7-17-10-18-8-11)13(9-21)15(24)20-12-3-2-4-19-14(12)23/h7-8,10,12-13H,2-6,9H2,1H3,(H,19,23)(H,20,24)/t12-,13+/m0/s1