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

Systemtic Name: 5-[4-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[4-ethyl-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[4-ethyl-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]-3-methylisoxazole IUPAC Name: 5-[4-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[4-ethyl-3-[4-(2-pyridyl)piperazino]sulfonyl-phenyl]-3-methyl-isoxazole Formula: C21H24N4O3S MolecularWeight: 412.50526

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-3-17-7-8-18(19-14-16(2)23-28-19)15-20(17)29(26,27)25-12-10-24(11-13-25)21-6-4-5-9-22-21/h4-9,14-15H,3,10-13H2,1-2H3