3-chloranyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H30ClN3O3S/c24-23-13-16-10-17(14-23)12-22(11-16,15-23)21(28)26-18-5-7-19(8-6-18)31(29,30)27-20-4-2-1-3-9-25-20/h5-8,16-17H,1-4,9-15H2,(H,25,27)(H,26,28)