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

Systemtic Name: phenyl 4-[5-(2-hydroxyphenyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzenesulfonylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(benzenesulfonylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(besylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H27N3O8S3 MolecularWeight: 629.72428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O8S3/c32-27-14-8-7-13-24(27)21-15-16-25(30-42(37,38)41(35,36)23-11-5-2-6-12-23)26(19-21)31-18-17-29-28(20-31)40(33,34)39-22-9-3-1-4-10-22/h1-16,19,28-30,32H,17-18,20H2