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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]benzoate CAS Name: 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30ClNO7S MolecularWeight: 548.0476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl)OC

InChI

InChI=1S/C27H30ClNO7S/c1-34-23-11-24(35-2)22(10-21(23)28)29-37(32,33)20-5-3-4-19(9-20)26(31)36-15-25(30)27-12-16-6-17(13-27)8-18(7-16)14-27/h3-5,9-11,16-18,29H,6-8,12-15H2,1-2H3