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

Systemtic Name: N-(4-fluorophenyl)-N-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(4-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(4-fluorophenyl)-N-[2-(4-formyl-1-piperazinyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(4-fluorophenyl)-N-[2-(4-formylpiperazino)-2-keto-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C=O)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22FN3O6S/c22-16-1-3-17(4-2-16)25(14-21(27)24-9-7-23(15-26)8-10-24)32(28,29)18-5-6-19-20(13-18)31-12-11-30-19/h1-6,13,15H,7-12,14H2