2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-12-4-11-23(13-14-24)16-20(25)22-15-17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2,(H,22,25)/p+1