[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N2O5S/c1-17-7-9-28(10-8-17)34(31,32)23-5-3-22(4-6-23)25(30)33-18(2)24(29)27-26-14-19-11-20(15-26)13-21(12-19)16-26/h3-6,17-21H,7-16H2,1-2H3,(H,27,29)/t18-,19?,20?,21?,26?/m1/s1