[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28N2O8S MolecularWeight: 528.57412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28N2O8S/c1-35-23-6-5-20(28(31)32)11-22(23)27-37(33,34)21-4-2-3-19(10-21)25(30)36-15-24(29)26-12-16-7-17(13-26)9-18(8-16)14-26/h2-6,10-11,16-18,27H,7-9,12-15H2,1H3