N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(4-fluorophenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(4-fluorophenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H25FN3O5S+ MolecularWeight: 450.503703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24FN3O5S/c1-23-8-10-24(11-9-23)21(26)15-25(17-4-2-16(22)3-5-17)31(27,28)18-6-7-19-20(14-18)30-13-12-29-19/h2-7,14H,8-13,15H2,1H3/p+1