(5S,7R)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-3-hydroxy-adamantane-1-carboxamide Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C20H28N2O5S/c1-22(2)28(25,26)15-4-5-17(27-3)16(7-15)21-18(23)19-8-13-6-14(9-19)11-20(24,10-13)12-19/h4-5,7,13-14,24H,6,8-12H2,1-3H3,(H,21,23)/t13-,14+,19?,20?