[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H28BrNO6S MolecularWeight: 526.44052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C23H28BrNO6S/c24-19-2-1-18(10-20(19)32(28,29)25-3-5-30-6-4-25)22(27)31-14-21(26)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17H,3-9,11-14H2