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

Systemtic Name: 3-methyl-5-[4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-phenyl]-1,2-oxazole Openeye Name: 3-methyl-5-[4-methyl-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-phenyl]isoxazole CAS Name: 3-methyl-5-[4-methyl-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]isoxazole IUPAC Name: 3-methyl-5-[4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole Traditional Name: 3-methyl-5-[4-methyl-3-[4-(2-pyridyl)piperazino]sulfonyl-phenyl]isoxazole Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H22N4O3S/c1-15-6-7-17(18-13-16(2)22-27-18)14-19(15)28(25,26)24-11-9-23(10-12-24)20-5-3-4-8-21-20/h3-8,13-14H,9-12H2,1-2H3