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

Systemtic Name: (2R)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-pyrimidin-5-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxo-3-piperidyl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(5-pyrimidinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-keto-3-piperidyl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Formula: C21H23FN6O5S MolecularWeight: 490.507923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3=CN=CN=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@H]2CN(CCN2C(=O)C3=CN=CN=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN6O5S/c22-15-3-5-16(6-4-15)34(32,33)27-8-9-28(21(31)14-10-23-13-24-11-14)18(12-27)20(30)26-17-2-1-7-25-19(17)29/h3-6,10-11,13,17-18H,1-2,7-9,12H2,(H,25,29)(H,26,30)/t17-,18+/m0/s1