phenyl 4-[2-(2-hydroxyphenyl)-4-methylsulfanyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(2-hydroxyphenyl)-4-methylsulfanyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(2-hydroxyphenyl)-4-methylsulfanyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(2-hydroxyphenyl)-4-(methylthio)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyphenyl)-4-methylsulfanylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(2-hydroxyphenyl)-4-(methylthio)phenyl]piperazine-2-sulfonic 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)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CSC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

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