[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

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