phenyl 4-(bromanylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 4-(bromanylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-(bromosulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 4-(bromosulfonylamino)-3-[3-(2-hydroxyphenyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(bromosulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 4-(bromosulfonylamino)-3-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C22H22BrN3O6S2 MolecularWeight: 568.46058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)Br

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)Br

InChI

InChI=1S/C22H22BrN3O6S2/c23-34(30,31)25-19-11-10-17(33(28,29)32-16-6-2-1-3-7-16)14-21(19)26-13-12-24-20(15-26)18-8-4-5-9-22(18)27/h1-11,14,20,24-25,27H,12-13,15H2