[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoate CAS Name: 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate Traditional Name: 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30FNO7S MolecularWeight: 531.593003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C27H30FNO7S/c1-34-23-11-19(37(32,33)29-22-6-4-3-5-21(22)28)10-20(25(23)35-2)26(31)36-15-24(30)27-12-16-7-17(13-27)9-18(8-16)14-27/h3-6,10-11,16-18,29H,7-9,12-15H2,1-2H3