[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H31NO7S MolecularWeight: 477.57044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C24H31NO7S/c1-30-20-3-2-19(11-21(20)33(28,29)25-4-6-31-7-5-25)23(27)32-15-22(26)24-12-16-8-17(13-24)10-18(9-16)14-24/h2-3,11,16-18H,4-10,12-15H2,1H3