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

Systemtic Name: phenyl 5-ethoxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-ethoxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 5-ethoxy-2-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-ethoxy-2-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-ethoxy-2-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)SC)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O4S2/c1-3-24-16-9-10-17(21-12-11-20-19(14-21)26-2)18(13-16)27(22,23)25-15-7-5-4-6-8-15/h4-10,13,19-20H,3,11-12,14H2,1-2H3