(3R)-4-(4-fluorophenyl)sulfonyl-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-propan-2-yl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-4-(4-fluorophenyl)sulfonyl-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-4-(4-fluorophenyl)sulfonyl-N1-isopropyl-N3-[(3S)-2-oxo-3-piperidyl]piperazine-1,3-dicarboxamide CAS Name: (3R)-4-(4-fluorophenyl)sulfonyl-N3-[(3S)-2-oxo-3-piperidinyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-4-(4-fluorophenyl)sulfonyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-4-(4-fluorophenyl)sulfonyl-N-isopropyl-N'-[(3S)-2-keto-3-piperidyl]piperazine-1,3-dicarboxamide Formula: C20H28FN5O5S MolecularWeight: 469.530223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC2CCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN5O5S/c1-13(2)23-20(29)25-10-11-26(32(30,31)15-7-5-14(21)6-8-15)17(12-25)19(28)24-16-4-3-9-22-18(16)27/h5-8,13,16-17H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t16-,17+/m0/s1