phenyl 4-(bromanylsulfonylamino)-3-(3-fluoranylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-(bromanylsulfonylamino)-3-(3-fluoranylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(bromosulfonylamino)-3-(3-fluoropiperazin-1-yl)benzenesulfonate CAS Name: 4-(bromosulfonylamino)-3-(3-fluoro-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(bromosulfonylamino)-3-(3-fluoropiperazin-1-yl)benzenesulfonate Traditional Name: 4-(bromosulfonylamino)-3-(3-fluoropiperazino)benzenesulfonic acid phenyl ester Formula: C16H17BrFN3O5S2 MolecularWeight: 494.355683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)F)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)Br

Isomeric SMILES

C1CN(CC(N1)F)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)Br

InChI

InChI=1S/C16H17BrFN3O5S2/c17-28(24,25)20-14-7-6-13(10-15(14)21-9-8-19-16(18)11-21)27(22,23)26-12-4-2-1-3-5-12/h1-7,10,16,19-20H,8-9,11H2