N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H25F3N3O4S+ MolecularWeight: 472.50111

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24F3N3O4S/c1-26-7-9-27(10-8-26)18-5-3-15(21(22,23)24)13-17(18)25-32(28,29)16-4-6-19-20(14-16)31-12-2-11-30-19/h3-6,13-14,25H,2,7-12H2,1H3/p+1