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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28ClNO5S MolecularWeight: 502.02222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C26H28ClNO5S/c1-28(21-5-3-2-4-6-21)34(31,32)23-12-20(7-8-22(23)27)25(30)33-16-24(29)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-8,12,17-19H,9-11,13-16H2,1H3