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

Systemtic Name: phenyl 2-(3-ethoxypiperazin-1-yl)-5-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 2-(3-ethoxypiperazin-1-yl)-5-methylsulfanyl-benzenesulfonate CAS Name: 2-(3-ethoxy-1-piperazinyl)-5-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-ethoxypiperazin-1-yl)-5-methylsulfanylbenzenesulfonate Traditional Name: 2-(3-ethoxypiperazino)-5-(methylthio)benzenesulfonic acid phenyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)SC)S(=O)(=O)OC3=CC=CC=C3

InChI

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