tert-butyl 4-(3-pyridin-4-ylpropylsulfanylcarbonyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-pyridin-4-ylpropylsulfanylcarbonyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-pyridyl)propylsulfanylcarbonyl]piperidine-1-carboxylate CAS Name: 4-[oxo-(3-pyridin-4-ylpropylthio)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-pyridin-4-ylpropylsulfanylcarbonyl)piperidine-1-carboxylate Traditional Name: 4-[3-(4-pyridyl)propylthio]carbonylpiperidine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)SCCCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)SCCCC2=CC=NC=C2

InChI

InChI=1S/C19H28N2O3S/c1-19(2,3)24-18(23)21-12-8-16(9-13-21)17(22)25-14-4-5-15-6-10-20-11-7-15/h6-7,10-11,16H,4-5,8-9,12-14H2,1-3H3