[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(methylsulfonylamino)benzoate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(methylsulfonylamino)benzoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CC=C4NS(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CC=C4NS(=O)(=O)C

InChI

InChI=1S/C21H27NO5S/c1-13(19(23)21-10-14-7-15(11-21)9-16(8-14)12-21)27-20(24)17-5-3-4-6-18(17)22-28(2,25)26/h3-6,13-16,22H,7-12H2,1-2H3/t13-,14?,15?,16?,21?/m1/s1