2,4-bis(fluoranyl)-N-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: 2,4-bis(fluoranyl)-N-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: 2,4-difluoro-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide CAS Name: 2,4-difluoro-N-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: 2,4-difluoro-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Traditional Name: 2,4-difluoro-N-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]benzenesulfonamide Formula: C18H21F2N5O3S MolecularWeight: 425.452846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCNS(=O)(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCNS(=O)(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H21F2N5O3S/c19-14-4-5-16(15(20)13-14)29(27,28)23-8-1-3-17(26)24-9-11-25(12-10-24)18-21-6-2-7-22-18/h2,4-7,13,23H,1,3,8-12H2