[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(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=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O8S/c1-36-22-5-3-19(29(32)33)10-21(22)28-38(34,35)23-9-18(2-4-20(23)27)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