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

Systemtic Name: (2R)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[2-(phenylsulfonyl)ethanoyl]-1-pyrimidin-5-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-[2-(benzenesulfonyl)acetyl]-N-[(3S)-2-oxo-3-piperidyl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-4-[2-(benzenesulfonyl)-1-oxoethyl]-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(5-pyrimidinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-4-[2-(benzenesulfonyl)acetyl]-N-[(3S)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-4-(2-besylacetyl)-N-[(3S)-2-keto-3-piperidyl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Formula: C23H26N6O6S MolecularWeight: 514.55414

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)C(=O)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O6S/c30-20(14-36(34,35)17-5-2-1-3-6-17)28-9-10-29(23(33)16-11-24-15-25-12-16)19(13-28)22(32)27-18-7-4-8-26-21(18)31/h1-3,5-6,11-12,15,18-19H,4,7-10,13-14H2,(H,26,31)(H,27,32)/t18-,19+/m0/s1