5-ethylsulfonyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C21H23F3N3O3S2+ MolecularWeight: 486.55083

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3S2/c1-2-32(28,29)17-6-7-19-18(13-17)27(20(31)30-19)14-25-8-10-26(11-9-25)16-5-3-4-15(12-16)21(22,23)24/h3-7,12-13H,2,8-11,14H2,1H3/p+1