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

Systemtic Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]adamantane-1-carboxamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O3S/c27-22(23-13-16-10-17(14-23)12-18(11-16)15-23)25-19-5-7-20(8-6-19)30(28,29)26-21-4-2-1-3-9-24-21/h5-8,16-18H,1-4,9-15H2,(H,24,26)(H,25,27)/p+1