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

Systemtic Name: phenyl 5-iodanyl-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-iodo-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 5-iodo-2-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-iodo-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-iodo-2-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C17H19IN2O3S2 MolecularWeight: 490.37883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19IN2O3S2/c1-24-17-12-20(10-9-19-17)15-8-7-13(18)11-16(15)25(21,22)23-14-5-3-2-4-6-14/h2-8,11,17,19H,9-10,12H2,1H3