[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 4-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H29NO6S MolecularWeight: 483.57656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO6S/c1-32-22-6-4-21(5-7-22)27-34(30,31)23-8-2-20(3-9-23)25(29)33-16-24(28)26-13-17-10-18(14-26)12-19(11-17)15-26/h2-9,17-19,27H,10-16H2,1H3