[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H33NO7S MolecularWeight: 479.58632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCNS(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCNS(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H33NO7S/c1-15(23(27)24-12-16-8-17(13-24)10-18(9-16)14-24)32-22(26)6-7-25-33(28,29)19-4-5-20(30-2)21(11-19)31-3/h4-5,11,15-18,25H,6-10,12-14H2,1-3H3