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

Systemtic Name: (phenylmethyl) N-[1-[2-(tert-butylcarbamoyl)-2-phenylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]carbamate Openeye Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-phenylsulfanyl-1-piperidyl]-2-hydroxy-4-phenyl-butyl]carbamate CAS Name: N-[1-[2-[(tert-butylamino)-oxomethyl]-2-(phenylthio)-1-piperidinyl]-2-hydroxy-4-phenylbutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-phenylsulfanylpiperidin-1-yl]-2-hydroxy-4-phenylbutyl]carbamate Traditional Name: N-[1-[2-(tert-butylcarbamoyl)-2-(phenylthio)piperidino]-2-hydroxy-4-phenyl-butyl]carbamic acid benzyl ester Formula: C34H43N3O4S MolecularWeight: 589.78792

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C34H43N3O4S/c1-33(2,3)36-31(39)34(42-28-19-11-6-12-20-28)23-13-14-24-37(34)30(29(38)22-21-26-15-7-4-8-16-26)35-32(40)41-25-27-17-9-5-10-18-27/h4-12,15-20,29-30,38H,13-14,21-25H2,1-3H3,(H,35,40)(H,36,39)