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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

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