N-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methoxy-pyrimidin-4-yl]piperazine-1-sulfonamide

Systemtic Name: N-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methoxy-pyrimidin-4-yl]piperazine-1-sulfonamide Openeye Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-methoxy-pyrimidin-4-yl]piperazine-1-sulfonamide CAS Name: N-[2-[(2,3-difluorophenyl)methylthio]-6-methoxy-4-pyrimidinyl]-1-piperazinesulfonamide IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-methoxypyrimidin-4-yl]piperazine-1-sulfonamide Traditional Name: N-[2-[(2,3-difluorobenzyl)thio]-6-methoxy-pyrimidin-4-yl]piperazine-1-sulfonamide Formula: C16H19F2N5O3S2 MolecularWeight: 431.480566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)N2CCNCC2)SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)N2CCNCC2)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C16H19F2N5O3S2/c1-26-14-9-13(22-28(24,25)23-7-5-19-6-8-23)20-16(21-14)27-10-11-3-2-4-12(17)15(11)18/h2-4,9,19H,5-8,10H2,1H3,(H,20,21,22)