5-bromanyl-2-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 5-bromanyl-2-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-bromo-2-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 5-bromo-2-[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-bromo-2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-bromo-2-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]pyrimidine Formula: C15H16BrFN4O3S MolecularWeight: 431.279943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)F

InChI

InChI=1S/C15H16BrFN4O3S/c1-24-14-3-2-12(8-13(14)17)25(22,23)21-6-4-20(5-7-21)15-18-9-11(16)10-19-15/h2-3,8-10H,4-7H2,1H3