[(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate Openeye Name: [(1S)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [(1S)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H28ClNO5S MolecularWeight: 453.97942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)N(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)N(C)C)Cl

InChI

InChI=1S/C22H28ClNO5S/c1-13(20(25)22-10-14-6-15(11-22)8-16(7-14)12-22)29-21(26)18-9-17(4-5-19(18)23)30(27,28)24(2)3/h4-5,9,13-16H,6-8,10-12H2,1-3H3/t13-,14?,15?,16?,22?/m0/s1