(5S,7R)-3-chloranyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[5-(diethylsulfamoyl)-2-morpholino-phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[5-(diethylsulfamoyl)-2-morpholino-phenyl]adamantane-1-carboxamide Formula: C25H36ClN3O4S MolecularWeight: 510.08904

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C25H36ClN3O4S/c1-3-29(4-2)34(31,32)20-5-6-22(28-7-9-33-10-8-28)21(12-20)27-23(30)24-13-18-11-19(14-24)16-25(26,15-18)17-24/h5-6,12,18-19H,3-4,7-11,13-17H2,1-2H3,(H,27,30)/t18-,19+,24?,25?