[(1S,3S,4R)-7,7-dimethyl-4-(phenylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl] 2-bromanylethanoate

Systemtic Name: [(1S,3S,4R)-7,7-dimethyl-4-(phenylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl] 2-bromanylethanoate Openeye Name: [(1R,2S,4S)-1-(benzenesulfonylmethyl)-7,7-dimethyl-norbornan-2-yl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(1S,3S,4R)-4-(benzenesulfonylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester IUPAC Name: [(1S,3S,4R)-4-(benzenesulfonylmethyl)-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(1R,2S,4S)-1-(besylmethyl)-7,7-dimethyl-norbornan-2-yl] ester Formula: C18H23BrO4S MolecularWeight: 415.34182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)OC(=O)CBr)CS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1([C@H]2CC[C@@]1([C@H](C2)OC(=O)CBr)CS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H23BrO4S/c1-17(2)13-8-9-18(17,15(10-13)23-16(20)11-19)12-24(21,22)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t13-,15-,18-/m0/s1