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

Systemtic Name: (3S)-4-methylsulfonyl-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N1-isopropyl-4-methylsulfonyl-N3-[(3S)-2-oxo-3-piperidyl]piperazine-1,3-dicarboxamide CAS Name: (3S)-4-methylsulfonyl-N3-[(3S)-2-oxo-3-piperidinyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-4-methylsulfonyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3S)-N-isopropyl-N'-[(3S)-2-keto-3-piperidyl]-4-mesyl-piperazine-1,3-dicarboxamide Formula: C15H27N5O5S MolecularWeight: 389.47038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N5O5S/c1-10(2)17-15(23)19-7-8-20(26(3,24)25)12(9-19)14(22)18-11-5-4-6-16-13(11)21/h10-12H,4-9H2,1-3H3,(H,16,21)(H,17,23)(H,18,22)/t11-,12-/m0/s1