[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H34N2O6S/c1-17(25-13-18-9-19(14-25)11-20(10-18)15-25)26-23(28)16-33-24(29)21-3-2-4-22(12-21)34(30,31)27-5-7-32-8-6-27/h2-4,12,17-20H,5-11,13-16H2,1H3,(H,26,28)