1,4-bis[2-(4-methylphenyl)sulfonylethyl]piperazin-1-ium

Systemtic Name: 1,4-bis[2-(4-methylphenyl)sulfonylethyl]piperazin-1-ium Openeye Name: 1,4-bis[2-(p-tolylsulfonyl)ethyl]piperazin-1-ium CAS Name: 1,4-bis[2-(4-methylphenyl)sulfonylethyl]piperazin-1-ium IUPAC Name: 1,4-bis[2-(4-methylphenyl)sulfonylethyl]piperazin-1-ium Traditional Name: 1,4-bis(2-tosylethyl)piperazin-1-ium Formula: C22H31N2O4S2+ MolecularWeight: 451.62254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H30N2O4S2/c1-19-3-7-21(8-4-19)29(25,26)17-15-23-11-13-24(14-12-23)16-18-30(27,28)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3/p+1