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

Systemtic Name: (2S)-1-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-pyridin-3-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-1-methylsulfonyl-N-[(3S)-2-oxo-3-piperidyl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-1-methylsulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-1-mesyl-4-nicotinoyl-piperazine-2-carboxamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1C(=O)NC2CCCNC2=O)C(=O)C3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(C[C@H]1C(=O)N[C@H]2CCCNC2=O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H23N5O5S/c1-28(26,27)22-9-8-21(17(25)12-4-2-6-18-10-12)11-14(22)16(24)20-13-5-3-7-19-15(13)23/h2,4,6,10,13-14H,3,5,7-9,11H2,1H3,(H,19,23)(H,20,24)/t13-,14-/m0/s1