tert-butyl N-[1-[1-(4-methoxybutyl)-2-oxidanylidene-3-(phenylsulfinyl)piperidin-3-yl]-8-oxidanyl-oct-3-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[1-(4-methoxybutyl)-2-oxidanylidene-3-(phenylsulfinyl)piperidin-3-yl]-8-oxidanyl-oct-3-yn-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[3-(benzenesulfinyl)-1-(4-methoxybutyl)-2-oxo-3-piperidyl]methyl]-7-hydroxy-hept-2-ynyl]carbamate CAS Name: N-[1-[3-(benzenesulfinyl)-1-(4-methoxybutyl)-2-oxo-3-piperidinyl]-8-hydroxyoct-3-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(benzenesulfinyl)-1-(4-methoxybutyl)-2-oxopiperidin-3-yl]-8-hydroxyoct-3-yn-2-yl]carbamate Traditional Name: N-[1-[[3-(benzenesulfinyl)-2-keto-1-(4-methoxybutyl)-3-piperidyl]methyl]-7-hydroxy-hept-2-ynyl]carbamic acid tert-butyl ester Formula: C29H44N2O6S MolecularWeight: 548.73446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1(CCCN(C1=O)CCCCOC)S(=O)C2=CC=CC=C2)C#CCCCCO

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1(CCCN(C1=O)CCCCOC)S(=O)C2=CC=CC=C2)C#CCCCCO

InChI

InChI=1S/C29H44N2O6S/c1-28(2,3)37-27(34)30-24(15-8-5-6-12-21-32)23-29(38(35)25-16-9-7-10-17-25)18-14-20-31(26(29)33)19-11-13-22-36-4/h7,9-10,16-17,24,32H,5-6,11-14,18-23H2,1-4H3,(H,30,34)