tert-butyl (1S,5R)-4-ethynyl-3-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl (1S,5R)-4-ethynyl-3-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl (1S,5R)-4-ethynyl-3-(p-tolylsulfonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1S,5R)-4-ethynyl-3-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,5R)-4-ethynyl-3-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1S,5R)-4-ethynyl-3-tosyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC3CCC(C2C#C)N3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2C[C@@H]3CC[C@H](C2C#C)N3C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO4S/c1-6-17-18-12-9-15(22(18)20(23)26-21(3,4)5)13-19(17)27(24,25)16-10-7-14(2)8-11-16/h1,7-8,10-11,15,17-19H,9,12-13H2,2-5H3/t15-,17?,18+,19?/m0/s1