5-tert-butyl-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]pyrocatechol Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H27FN2O4S/c1-21(2,3)16-11-15(20(26)19(25)12-16)14-23-7-9-24(10-8-23)29(27,28)18-6-4-5-17(22)13-18/h4-6,11-13,25-26H,7-10,14H2,1-3H3