[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-(mesitylsulfonylamino)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C28H33NO5S/c1-17-8-18(2)26(19(3)9-17)35(32,33)29-24-7-5-4-6-23(24)27(31)34-16-25(30)28-13-20-10-21(14-28)12-22(11-20)15-28/h4-9,20-22,29H,10-16H2,1-3H3