phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-methylsulfanyl-benzenesulfonate

Systemtic Name: phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-methylsulfanyl-benzenesulfonate CAS Name: 2-[3-(2-hydroxyphenyl)-1-piperazinyl]-5-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(2-hydroxyphenyl)piperazin-1-yl]-5-methylsulfanylbenzenesulfonate Traditional Name: 2-[3-(2-hydroxyphenyl)piperazino]-5-(methylthio)benzenesulfonic acid phenyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)N2CCNC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CC(=C(C=C1)N2CCNC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4S2/c1-30-18-11-12-21(23(15-18)31(27,28)29-17-7-3-2-4-8-17)25-14-13-24-20(16-25)19-9-5-6-10-22(19)26/h2-12,15,20,24,26H,13-14,16H2,1H3