5-methyl-2-piperazin-1-yl-benzenesulfonic acid; 1,2,2,2-tetrakis(fluoranyl)ethanol

Systemtic Name: 5-methyl-2-piperazin-1-yl-benzenesulfonic acid; 1,2,2,2-tetrakis(fluoranyl)ethanol Openeye Name: 5-methyl-2-piperazin-1-yl-benzenesulfonic acid; 1,2,2,2-tetrafluoroethanol CAS Name: 5-methyl-2-(1-piperazinyl)benzenesulfonic acid; 1,2,2,2-tetrafluoroethanol IUPAC Name: 5-methyl-2-piperazin-1-ylbenzenesulfonic acid; 1,2,2,2-tetrafluoroethanol Traditional Name: 5-methyl-2-piperazino-besylic acid; 1,2,2,2-tetrafluoroethanol Formula: C13H18F4N2O4S MolecularWeight: 374.351633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.C(C(F)(F)F)(O)F

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.C(C(F)(F)F)(O)F

InChI

InChI=1S/C11H16N2O3S.C2H2F4O/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13;3-1(7)2(4,5)6/h2-3,8,12H,4-7H2,1H3,(H,14,15,16);1,7H