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

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[(1S,3R)-5-(methylsulfonylamino)-2-adamantyl]propanamide Openeye Name: 2-(4-chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide IUPAC Name: 2-(4-chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide Traditional Name: 2-(4-chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methyl-propionamide Formula: C21H29ClN2O4S MolecularWeight: 440.98396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)NC1[C@@H]2CC3C[C@H]1CC(C2)(C3)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)23-18-14-8-13-9-15(18)12-21(10-13,11-14)24-29(3,26)27/h4-7,13-15,18,24H,8-12H2,1-3H3,(H,23,25)/t13?,14-,15+,18?,21?