(phenylmethyl) N-[1-[2-(tert-butylcarbamoyl)-2-pyridin-2-ylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(tert-butylcarbamoyl)-2-pyridin-2-ylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]carbamate Openeye Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-(2-pyridylsulfanyl)-1-piperidyl]-2-hydroxy-4-phenyl-butyl]carbamate CAS Name: N-[1-[2-[(tert-butylamino)-oxomethyl]-2-(2-pyridinylthio)-1-piperidinyl]-2-hydroxy-4-phenylbutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-pyridin-2-ylsulfanylpiperidin-1-yl]-2-hydroxy-4-phenylbutyl]carbamate Traditional Name: N-[1-[2-(tert-butylcarbamoyl)-2-(2-pyridylthio)piperidino]-2-hydroxy-4-phenyl-butyl]carbamic acid benzyl ester Formula: C33H42N4O4S MolecularWeight: 590.77598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3)SC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3)SC4=CC=CC=N4

InChI

InChI=1S/C33H42N4O4S/c1-32(2,3)36-30(39)33(42-28-18-10-12-22-34-28)21-11-13-23-37(33)29(27(38)20-19-25-14-6-4-7-15-25)35-31(40)41-24-26-16-8-5-9-17-26/h4-10,12,14-18,22,27,29,38H,11,13,19-21,23-24H2,1-3H3,(H,35,40)(H,36,39)