[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate CAS Name: 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate Traditional Name: 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C25H28BrNO5S MolecularWeight: 534.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC(=CC=C4)Br)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC(=CC=C4)Br)C)C

InChI

InChI=1S/C25H28BrNO5S/c1-24(2)12-20-13-25(3,15-24)16-27(20)33(30,31)21-9-5-7-18(11-21)23(29)32-14-22(28)17-6-4-8-19(26)10-17/h4-11,20H,12-16H2,1-3H3