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

Systemtic Name: phenyl 2-(3-bromanylpiperazin-1-yl)-5-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 2-(3-bromopiperazin-1-yl)-5-methylsulfanyl-benzenesulfonate CAS Name: 2-(3-bromo-1-piperazinyl)-5-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-bromopiperazin-1-yl)-5-methylsulfanylbenzenesulfonate Traditional Name: 2-(3-bromopiperazino)-5-(methylthio)benzenesulfonic acid phenyl ester Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)N2CCNC(C2)Br)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)N2CCNC(C2)Br)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2O3S2/c1-24-14-7-8-15(20-10-9-19-17(18)12-20)16(11-14)25(21,22)23-13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3