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

Systemtic Name: phenyl 4-[2-(methylsulfanylsulfonylamino)-5-phenyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(methylsulfanylsulfonylamino)-5-phenyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(methylthio)sulfonylamino]-5-phenylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(methylsulfanylsulfonylamino)-5-phenylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-[(methylthio)sulfonylamino]-5-phenyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H25N3O5S3 MolecularWeight: 519.6567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S3/c1-32-34(29,30)25-21-13-12-19(18-8-4-2-5-9-18)16-22(21)26-15-14-24-23(17-26)33(27,28)31-20-10-6-3-7-11-20/h2-13,16,23-25H,14-15,17H2,1H3