tert-butyl (1R,2R,4S)-2-[[(R)-(phenylmethyl)sulfinyl]methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylate

Systemtic Name: tert-butyl (1R,2R,4S)-2-[[(R)-(phenylmethyl)sulfinyl]methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylate Openeye Name: tert-butyl (1R,2R,4S)-2-[[(R)-benzylsulfinyl]methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylate CAS Name: (1R,2R,4S)-2-[[(R)-(phenylmethyl)sulfinyl]methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R,4S)-2-[[(R)-benzylsulfinyl]methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylate Traditional Name: (1R,2R,4S)-2-[[(R)-benzylsulfinyl]methyl]-3-azabicyclo[2.2.1]heptane-3-carboxylic acid tert-butyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC(C2)C1CS(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1C[S@](=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H27NO3S/c1-19(2,3)23-18(21)20-16-10-9-15(11-16)17(20)13-24(22)12-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3/t15-,16+,17+,24-/m1/s1