(4-nitrophenyl)methyl 2-(sulfanylmethyl)piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(sulfanylmethyl)piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(sulfanylmethyl)piperidine-1-carboxylate CAS Name: 2-(mercaptomethyl)-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(sulfanylmethyl)piperidine-1-carboxylate Traditional Name: 2-(mercaptomethyl)piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CS)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CS)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4S/c17-14(15-8-2-1-3-13(15)10-21)20-9-11-4-6-12(7-5-11)16(18)19/h4-7,13,21H,1-3,8-10H2