tert-butyl 3-(4-tert-butylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl 3-(4-tert-butylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl 3-(4-tert-butylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-(4-tert-butylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-tert-butylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-(4-tert-butylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC3CCC(C2)N3C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC3CCC(C2)N3C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O4S/c1-20(2,3)15-7-11-18(12-8-15)28(25,26)22-13-16-9-10-17(14-22)23(16)19(24)27-21(4,5)6/h7-8,11-12,16-17H,9-10,13-14H2,1-6H3