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

Systemtic Name: phenyl 2-(3-methoxypiperazin-1-yl)-5-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 2-(3-methoxypiperazin-1-yl)-5-methylsulfanyl-benzenesulfonate CAS Name: 2-(3-methoxy-1-piperazinyl)-5-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-methoxypiperazin-1-yl)-5-methylsulfanylbenzenesulfonate Traditional Name: 2-(3-methoxypiperazino)-5-(methylthio)benzenesulfonic acid phenyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C2=C(C=C(C=C2)SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1CN(CCN1)C2=C(C=C(C=C2)SC)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S2/c1-23-18-13-20(11-10-19-18)16-9-8-15(25-2)12-17(16)26(21,22)24-14-6-4-3-5-7-14/h3-9,12,18-19H,10-11,13H2,1-2H3