phenyl 2-(3-bromanylpiperazin-1-yl)-5-oxidanyl-benzenesulfonate

Systemtic Name: phenyl 2-(3-bromanylpiperazin-1-yl)-5-oxidanyl-benzenesulfonate Openeye Name: phenyl 2-(3-bromopiperazin-1-yl)-5-hydroxy-benzenesulfonate CAS Name: 2-(3-bromo-1-piperazinyl)-5-hydroxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-bromopiperazin-1-yl)-5-hydroxybenzenesulfonate Traditional Name: 2-(3-bromopiperazino)-5-hydroxy-benzenesulfonic acid phenyl ester Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O4S/c17-16-11-19(9-8-18-16)14-7-6-12(20)10-15(14)24(21,22)23-13-4-2-1-3-5-13/h1-7,10,16,18,20H,8-9,11H2