[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H34N2O5S/c1-17(23(28)26-25-14-18-11-19(15-25)13-20(12-18)16-25)32-24(29)21-5-7-22(8-6-21)33(30,31)27-9-3-2-4-10-27/h5-8,17-20H,2-4,9-16H2,1H3,(H,26,28)