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

Systemtic Name: 3-[4-ethyl-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[4-ethyl-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[4-ethyl-3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[4-ethyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[4-ethyl-3-(4-phenylpiperazino)sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C22H22F3N3O3S MolecularWeight: 465.48859

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22F3N3O3S/c1-2-16-8-9-17(19-15-21(31-26-19)22(23,24)25)14-20(16)32(29,30)28-12-10-27(11-13-28)18-6-4-3-5-7-18/h3-9,14-15H,2,10-13H2,1H3