[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C25H33BrN2O5S MolecularWeight: 553.50892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C25H33BrN2O5S/c26-25-13-18-10-19(14-25)12-24(11-18,17-25)15-23(30)33-16-22(29)27-20-4-6-21(7-5-20)34(31,32)28-8-2-1-3-9-28/h4-7,18-19H,1-3,8-17H2,(H,27,29)