[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(3R,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H36N2O5S/c1-17-6-18(2)15-28(14-17)34(31,32)23-5-3-4-22(10-23)25(30)33-16-24(29)27-26-11-19-7-20(12-26)9-21(8-19)13-26/h3-5,10,17-21H,6-9,11-16H2,1-2H3,(H,27,29)/t17-,18-,19?,20?,21?,26?/m1/s1