tert-butyl 4-(2-pyridin-4-ylethylsulfanyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-pyridin-4-ylethylsulfanyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-pyridyl)ethylsulfanyl]piperidine-1-carboxylate CAS Name: 4-(2-pyridin-4-ylethylthio)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-pyridin-4-ylethylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-[2-(4-pyridyl)ethylthio]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SCCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SCCC2=CC=NC=C2

InChI

InChI=1S/C17H26N2O2S/c1-17(2,3)21-16(20)19-11-6-15(7-12-19)22-13-8-14-4-9-18-10-5-14/h4-5,9-10,15H,6-8,11-13H2,1-3H3