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

Systemtic Name: phenyl 5-methoxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-methoxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 5-methoxy-2-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-methoxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-methoxy-2-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)SC)S(=O)(=O)OC3=CC=CC=C3

InChI

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