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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H27ClN2O8S MolecularWeight: 563.01918

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H27ClN2O8S/c1-36-23-5-2-18(29(32)33)9-22(23)28-38(34,35)19-3-4-21(27)20(10-19)25(31)37-14-24(30)26-11-15-6-16(12-26)8-17(7-15)13-26/h2-5,9-10,15-17,28H,6-8,11-14H2,1H3