[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO5S/c1-14-4-5-18(29(26,27)23(2)3)9-19(14)21(25)28-13-20(24)22-10-15-6-16(11-22)8-17(7-15)12-22/h4-5,9,15-17H,6-8,10-13H2,1-3H3