5-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[4-ethyl-3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]-3-methylisoxazole IUPAC Name: 5-[4-ethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[4-ethyl-3-[4-(2-pyrimidyl)piperazino]sulfonyl-phenyl]-3-methyl-isoxazole Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N5O3S/c1-3-16-5-6-17(18-13-15(2)23-28-18)14-19(16)29(26,27)25-11-9-24(10-12-25)20-21-7-4-8-22-20/h4-8,13-14H,3,9-12H2,1-2H3