3-[5-(4-pentan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[5-(4-pentan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[5-[4-(1-methylbutyl)piperazin-1-yl]sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[5-[(4-pentan-2-yl-1-piperazinyl)sulfonyl]-2-thiophenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[5-(4-pentan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[5-[4-(1-methylbutyl)piperazino]sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole Formula: C17H22F3N3O3S2 MolecularWeight: 437.50009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F

Isomeric SMILES

CCCC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F

InChI

InChI=1S/C17H22F3N3O3S2/c1-3-4-12(2)22-7-9-23(10-8-22)28(24,25)16-6-5-14(27-16)13-11-15(26-21-13)17(18,19)20/h5-6,11-12H,3-4,7-10H2,1-2H3