3-[[4-(1-adamantyl)phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide

Systemtic Name: 3-[[4-(1-adamantyl)phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Openeye Name: 3-[[4-(1-adamantyl)phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide CAS Name: 3-[[4-(1-adamantyl)phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide IUPAC Name: 3-[[4-(1-adamantyl)phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-[[4-(1-adamantyl)phenyl]sulfonylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C26H32N3O4S2+ MolecularWeight: 514.67998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H31N3O4S2/c30-34(31,28-22-3-1-4-24(14-22)35(32,33)29-25-5-2-10-27-25)23-8-6-21(7-9-23)26-15-18-11-19(16-26)13-20(12-18)17-26/h1,3-4,6-9,14,18-20,28H,2,5,10-13,15-17H2,(H,27,29)/p+1