tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanyl-piperidine-1-carboxylate CAS Name: 2-[(tert-butylamino)-oxomethyl]-4-(phenylthio)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(tert-butylcarbamoyl)-4-phenylsulfanylpiperidine-1-carboxylate Traditional Name: 2-(tert-butylcarbamoyl)-4-(phenylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1C(=O)OC(C)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C1CC(CCN1C(=O)OC(C)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O3S/c1-20(2,3)22-18(24)17-14-16(27-15-10-8-7-9-11-15)12-13-23(17)19(25)26-21(4,5)6/h7-11,16-17H,12-14H2,1-6H3,(H,22,24)