1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,5-difluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-tert-butylbenzyl)-4-(2,5-difluorophenyl)sulfonyl-piperazin-1-ium Formula: C21H27F2N2O2S+ MolecularWeight: 409.513086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C21H26F2N2O2S/c1-21(2,3)17-6-4-16(5-7-17)15-24-10-12-25(13-11-24)28(26,27)20-14-18(22)8-9-19(20)23/h4-9,14H,10-13,15H2,1-3H3/p+1