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

Systemtic Name: phenyl 5-methylsulfanyl-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-methylsulfanyl-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 5-(methylthio)-2-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-methylsulfanyl-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-(methylthio)-2-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S3/c1-24-15-8-9-16(20-11-10-19-18(13-20)25-2)17(12-15)26(21,22)23-14-6-4-3-5-7-14/h3-9,12,18-19H,10-11,13H2,1-2H3