[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO5S/c1-14-3-4-15(2)19(5-14)29(26,27)23-12-21(25)28-13-20(24)22-9-16-6-17(10-22)8-18(7-16)11-22/h3-5,16-18,23H,6-13H2,1-2H3