tert-butyl 3-{[(5-nitropyridin-2-yl)sulfanyl]methyl}piperidine-1-carboxylate

Formula: C16H23N3O4S

SMILES: CC(C)(C)OC(=O)N1CCCC(CSC2=NC=C(C=C2)[N+]([O-])=O)C1

IUPAC: tert-butyl 3-{[(5-nitropyridin-2-yl)sulfanyl]methyl}piperidine-1-carboxylate

InChI: InChI=1/C16H23N3O4S/c1-16(2,3)23-15(20)18-8-4-5-12(10-18)11-24-14-7-6-13(9-17-14)19(21)22/h6-7,9,12H,4-5,8,10-11H2,1-3H3

Composition: C (54.37%), H (6.56%), N (11.89%), O (18.11%), S (9.07%)

Molar Mass: 353.44

Atom Count: 47

Heavy Atom Count: 24