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

Systemtic Name: 3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[4-methyl-3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[4-methyl-3-(4-phenylpiperazino)sulfonyl-phenyl]-5-(trifluoromethyl)isoxazole Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20F3N3O3S/c1-15-7-8-16(18-14-20(30-25-18)21(22,23)24)13-19(15)31(28,29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3