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

Systemtic Name: (phenylmethyl) N-[1-[2-(tert-butylcarbamoyl)-2-pyridin-4-ylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]carbamate Openeye Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-(4-pyridylsulfanyl)-1-piperidyl]-2-hydroxy-4-phenyl-butyl]carbamate CAS Name: N-[1-[2-[(tert-butylamino)-oxomethyl]-2-(pyridin-4-ylthio)-1-piperidinyl]-2-hydroxy-4-phenylbutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-pyridin-4-ylsulfanylpiperidin-1-yl]-2-hydroxy-4-phenylbutyl]carbamate Traditional Name: N-[1-[2-(tert-butylcarbamoyl)-2-(4-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=NC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3)SC4=CC=NC=C4

InChI

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