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

Systemtic Name: (2S)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(4-piperidinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-(4-fluorophenyl)sulfonyl-1-isonipecotoyl-N-[(3S)-2-keto-3-piperidyl]piperazine-2-carboxamide Formula: C22H30FN5O5S MolecularWeight: 495.567503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3CCNCC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2C(=O)C3CCNCC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H30FN5O5S/c23-16-3-5-17(6-4-16)34(32,33)27-12-13-28(22(31)15-7-10-24-11-8-15)19(14-27)21(30)26-18-2-1-9-25-20(18)29/h3-6,15,18-19,24H,1-2,7-14H2,(H,25,29)(H,26,30)/t18-,19-/m0/s1