[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-bromophenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-bromophenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H26BrNO5S MolecularWeight: 532.44664

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H26BrNO5S/c26-20-4-6-21(7-5-20)27-33(30,31)22-3-1-2-19(11-22)24(29)32-15-23(28)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18,27H,8-10,12-15H2