(4-nitrophenyl)methyl (2S,5S)-2-(dimethylcarbamoyl)-5-sulfanyl-piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,5S)-2-(dimethylcarbamoyl)-5-sulfanyl-piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5S)-2-(dimethylcarbamoyl)-5-sulfanyl-piperidine-1-carboxylate CAS Name: (2S,5S)-2-[dimethylamino(oxo)methyl]-5-mercapto-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5S)-2-(dimethylcarbamoyl)-5-sulfanylpiperidine-1-carboxylate Traditional Name: (2S,5S)-2-(dimethylcarbamoyl)-5-mercapto-piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CN(C)C(=O)[C@@H]1CC[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C16H21N3O5S/c1-17(2)15(20)14-8-7-13(25)9-18(14)16(21)24-10-11-3-5-12(6-4-11)19(22)23/h3-6,13-14,25H,7-10H2,1-2H3/t13-,14-/m0/s1