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

Systemtic Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxo-3-piperidyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(3S)-2-keto-3-piperidyl]-4-mesyl-1-(2-thenoyl)piperazine-2-carboxamide Formula: C16H22N4O5S2 MolecularWeight: 414.49968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)NC2CCCNC2=O)C(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCN([C@H](C1)C(=O)N[C@H]2CCCNC2=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H22N4O5S2/c1-27(24,25)19-7-8-20(16(23)13-5-3-9-26-13)12(10-19)15(22)18-11-4-2-6-17-14(11)21/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,17,21)(H,18,22)/t11-,12+/m0/s1