phenyl 4-[5-(2-hydroxyphenyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-(2-hydroxyphenyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(2-hydroxyphenyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(2-hydroxyphenyl)-2-[(methylthio)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(2-hydroxyphenyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-(2-hydroxyphenyl)-2-[(methylthio)sulfonylamino]phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H25N3O6S3 MolecularWeight: 535.6561

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Descriptors Computed from Structure

Canonical SMILES:

CSS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O6S3/c1-33-35(30,31)25-20-12-11-17(19-9-5-6-10-22(19)27)15-21(20)26-14-13-24-23(16-26)34(28,29)32-18-7-3-2-4-8-18/h2-12,15,23-25,27H,13-14,16H2,1H3