tert-butyl 4-(phenylmethylsulfanyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(phenylmethylsulfanyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-benzylsulfanylpiperidine-1-carboxylate CAS Name: 4-(phenylmethylthio)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzylsulfanylpiperidine-1-carboxylate Traditional Name: 4-(benzylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H25NO2S/c1-17(2,3)20-16(19)18-11-9-15(10-12-18)21-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3