2-(4-chloranyl-2-methyl-phenoxy)-2-methyl-N-[(1S,3R)-5-(methylsulfonylamino)-2-adamantyl]propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-2-methyl-N-[(1S,3R)-5-(methylsulfonylamino)-2-adamantyl]propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methyl-propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methyl-propionamide Formula: C22H31ClN2O4S MolecularWeight: 455.01054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)(C)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)NS(=O)(=O)C

InChI

InChI=1S/C22H31ClN2O4S/c1-13-7-17(23)5-6-18(13)29-21(2,3)20(26)24-19-15-8-14-9-16(19)12-22(10-14,11-15)25-30(4,27)28/h5-7,14-16,19,25H,8-12H2,1-4H3,(H,24,26)/t14?,15-,16+,19?,22?