4-(4-fluoranylphenoxy)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4-(4-fluoranylphenoxy)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(4-fluorophenoxy)-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 4-(4-fluorophenoxy)-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-fluorophenoxy)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-(4-fluorophenoxy)-6-(4-tosylpiperazino)pyrimidine Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3S/c1-16-2-8-19(9-3-16)30(27,28)26-12-10-25(11-13-26)20-14-21(24-15-23-20)29-18-6-4-17(22)5-7-18/h2-9,14-15H,10-13H2,1H3