3-(2-chlorophenyl)-5-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]isoxazole-4-carboxamide Formula: C22H25ClN6O4S MolecularWeight: 504.9897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCCS(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCCCS(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H25ClN6O4S/c1-16-19(20(27-33-16)17-6-2-3-7-18(17)23)21(30)24-10-5-15-34(31,32)29-13-11-28(12-14-29)22-25-8-4-9-26-22/h2-4,6-9H,5,10-15H2,1H3,(H,24,30)