4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-N-phenyl-benzenesulfonamide Openeye Name: 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-N-phenyl-benzenesulfonamide CAS Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-N-phenylbenzenesulfonamide Traditional Name: 4-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-carbonyl]-N-phenyl-benzenesulfonamide Formula: C25H27FN3O3S+ MolecularWeight: 468.563583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O3S/c26-22-11-7-20(8-12-22)19-28-15-4-16-29(18-17-28)25(30)21-9-13-24(14-10-21)33(31,32)27-23-5-2-1-3-6-23/h1-3,5-14,27H,4,15-19H2/p+1