6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Openeye Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one CAS Name: 6-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Traditional Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Formula: C25H24F2N3O4S+ MolecularWeight: 500.537566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)OC1=O

InChI

InChI=1S/C25H23F2N3O4S/c1-28-22-11-10-21(16-23(22)34-25(28)31)35(32,33)30-14-12-29(13-15-30)24(17-2-6-19(26)7-3-17)18-4-8-20(27)9-5-18/h2-11,16,24H,12-15H2,1H3/p+1