[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C30H43N3O6S MolecularWeight: 573.74392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)N6CCOCC6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)N6CCOCC6

InChI

InChI=1S/C30H43N3O6S/c1-21(30-17-22-13-23(18-30)15-24(14-22)19-30)31-28(34)20-39-29(35)26-16-25(40(36,37)33-7-3-2-4-8-33)5-6-27(26)32-9-11-38-12-10-32/h5-6,16,21-24H,2-4,7-15,17-20H2,1H3,(H,31,34)