2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H28BrN3O3S/c23-22-11-15-7-16(12-22)10-21(9-15,14-22)13-20(27)25-17-3-1-4-18(8-17)30(28,29)26-19-5-2-6-24-19/h1,3-4,8,15-16H,2,5-7,9-14H2,(H,24,26)(H,25,27)/p+1/t15-,16+,21?,22?