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

Systemtic Name: phenyl 2-(3-methylsulfanylpiperazin-1-yl)-5-oxidanyl-benzenesulfonate Openeye Name: phenyl 5-hydroxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 5-hydroxy-2-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-hydroxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-hydroxy-2-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=C(C=C2)O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=C(C=C2)O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O4S2/c1-24-17-12-19(10-9-18-17)15-8-7-13(20)11-16(15)25(21,22)23-14-5-3-2-4-6-14/h2-8,11,17-18,20H,9-10,12H2,1H3