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

Systemtic Name: (5S,7R)-3-oxidanyl-N-(3-piperidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-hydroxy-N-[3-(1-piperidylsulfonyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-hydroxy-N-[3-(1-piperidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-hydroxy-N-(3-piperidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-hydroxy-N-(3-piperidinosulfonylphenyl)adamantane-1-carboxamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H30N2O4S/c25-20(21-11-16-9-17(12-21)14-22(26,13-16)15-21)23-18-5-4-6-19(10-18)29(27,28)24-7-2-1-3-8-24/h4-6,10,16-17,26H,1-3,7-9,11-15H2,(H,23,25)/t16-,17+,21?,22?