[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N2O6S/c29-23(21-4-6-22(7-5-21)35(32,33)28-8-2-1-3-9-28)17-34-24(30)16-27-25(31)26-13-18-10-19(14-26)12-20(11-18)15-26/h4-7,18-20H,1-3,8-17H2,(H,27,31)