tert-butyl N-[(8-phenethylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(8-phenethylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(8-phenethylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate CAS Name: N-[(8-phenethylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(8-phenethylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate Traditional Name: N-[(8-phenethylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamic acid tert-butyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2S(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2S(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O4S/c1-21(2,3)27-20(24)22-15-17-13-18-9-10-19(14-17)23(18)28(25,26)12-11-16-7-5-4-6-8-16/h4-8,17-19H,9-15H2,1-3H3,(H,22,24)