(2S)-1-(3-fluorophenyl)carbonyl-4-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-(3-fluorophenyl)carbonyl-4-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-1-(3-fluorobenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-1-[(3-fluorophenyl)-oxomethyl]-4-methylsulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-(3-fluorobenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-1-(3-fluorobenzoyl)-N-[(3S)-2-keto-3-piperidyl]-4-mesyl-piperazine-2-carboxamide Formula: C18H23FN4O5S MolecularWeight: 426.462423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)NC2CCCNC2=O)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN4O5S/c1-29(27,28)22-8-9-23(18(26)12-4-2-5-13(19)10-12)15(11-22)17(25)21-14-6-3-7-20-16(14)24/h2,4-5,10,14-15H,3,6-9,11H2,1H3,(H,20,24)(H,21,25)/t14-,15-/m0/s1