(5S,7R)-3-oxidanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-oxidanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-hydroxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-hydroxy-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-hydroxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-hydroxy-N-(4-pyrrolidinosulfonylphenyl)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)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C21H28N2O4S/c24-19(20-10-15-9-16(11-20)13-21(25,12-15)14-20)22-17-3-5-18(6-4-17)28(26,27)23-7-1-2-8-23/h3-6,15-16,25H,1-2,7-14H2,(H,22,24)/t15-,16+,20?,21?