2-(1-adamantyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O3S/c28-23(16-24-13-17-10-18(14-24)12-19(11-17)15-24)26-20-5-7-21(8-6-20)31(29,30)27-22-4-2-1-3-9-25-22/h5-8,17-19H,1-4,9-16H2,(H,25,27)(H,26,28)/p+1