[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(dimethylsulfamoyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26ClNO5S MolecularWeight: 439.95284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C21H26ClNO5S/c1-23(2)29(26,27)18-8-16(3-4-17(18)22)20(25)28-12-19(24)21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15H,5-7,9-12H2,1-2H3