3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[4-ethyl-3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[4-ethyl-3-(4-ethylpiperazino)sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C18H22F3N3O3S MolecularWeight: 417.44579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)CC

InChI

InChI=1S/C18H22F3N3O3S/c1-3-13-5-6-14(15-12-17(27-22-15)18(19,20)21)11-16(13)28(25,26)24-9-7-23(4-2)8-10-24/h5-6,11-12H,3-4,7-10H2,1-2H3