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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3-chloranyl-4-methyl-phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-chloro-3-[(3-chloro-4-methyl-phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(3-chloro-4-methyl-phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H27Cl2NO5S MolecularWeight: 536.46728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl)Cl

InChI

InChI=1S/C26H27Cl2NO5S/c1-15-2-4-20(10-22(15)28)29-35(32,33)23-9-19(3-5-21(23)27)25(31)34-14-24(30)26-11-16-6-17(12-26)8-18(7-16)13-26/h2-5,9-10,16-18,29H,6-8,11-14H2,1H3