N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O4S/c24-19-4-3-17(28(26,27)23-5-1-2-6-23)10-18(19)22-20(25)21-11-14-7-15(12-21)9-16(8-14)13-21/h3-4,10,14-16,24H,1-2,5-9,11-13H2,(H,22,25)