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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(4-nitrophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(4-nitrophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-nitrophenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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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)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O7S/c28-23(25-12-16-8-17(13-25)10-18(9-16)14-25)15-34-24(29)19-2-1-3-22(11-19)35(32,33)26-20-4-6-21(7-5-20)27(30)31/h1-7,11,16-18,26H,8-10,12-15H2