tert-butyl N-[2-[tert-butyl(4-phenylbutyl)carbamoyl]-2-oxidanyl-3-phenylsulfanyl-piperidin-1-yl]carbamate

Systemtic Name: tert-butyl N-[2-[tert-butyl(4-phenylbutyl)carbamoyl]-2-oxidanyl-3-phenylsulfanyl-piperidin-1-yl]carbamate Openeye Name: tert-butyl N-[2-[tert-butyl(4-phenylbutyl)carbamoyl]-2-hydroxy-3-phenylsulfanyl-1-piperidyl]carbamate CAS Name: N-[2-[[tert-butyl(4-phenylbutyl)amino]-oxomethyl]-2-hydroxy-3-(phenylthio)-1-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[tert-butyl(4-phenylbutyl)carbamoyl]-2-hydroxy-3-phenylsulfanylpiperidin-1-yl]carbamate Traditional Name: N-[2-[tert-butyl(4-phenylbutyl)carbamoyl]-2-hydroxy-3-(phenylthio)piperidino]carbamic acid tert-butyl ester Formula: C31H45N3O4S MolecularWeight: 555.7717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCCCC1=CC=CC=C1)C(=O)C2(C(CCCN2NC(=O)OC(C)(C)C)SC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)N(CCCCC1=CC=CC=C1)C(=O)C2(C(CCCN2NC(=O)OC(C)(C)C)SC3=CC=CC=C3)O

InChI

InChI=1S/C31H45N3O4S/c1-29(2,3)33(22-14-13-18-24-16-9-7-10-17-24)27(35)31(37)26(39-25-19-11-8-12-20-25)21-15-23-34(31)32-28(36)38-30(4,5)6/h7-12,16-17,19-20,26,37H,13-15,18,21-23H2,1-6H3,(H,32,36)