2-[(5S,7R)-3-oxidanyl-1-adamantyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H30N2O4S/c25-20(14-21-10-16-8-17(11-21)13-22(26,12-16)15-21)23-18-4-3-5-19(9-18)29(27,28)24-6-1-2-7-24/h3-5,9,16-17,26H,1-2,6-8,10-15H2,(H,23,25)/t16-,17+,21?,22?