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

Systemtic Name: phenyl 4-[2-(methylsulfanylsulfonylamino)-5-(phenylsulfonyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(benzenesulfonyl)-2-[(methylthio)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(benzenesulfonyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-besyl-2-[(methylthio)sulfonylamino]phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H25N3O7S4 MolecularWeight: 583.7205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O7S4/c1-34-37(31,32)25-21-13-12-20(35(27,28)19-10-6-3-7-11-19)16-22(21)26-15-14-24-23(17-26)36(29,30)33-18-8-4-2-5-9-18/h2-13,16,23-25H,14-15,17H2,1H3