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

Systemtic Name: 3-chloranyl-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: 3-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: 3-chloro-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4S/c22-21-11-14-7-15(12-21)10-20(9-14,13-21)19(26)23-17-8-16(3-4-18(17)25)29(27,28)24-5-1-2-6-24/h3-4,8,14-15,25H,1-2,5-7,9-13H2,(H,23,26)