phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(phenylsulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(phenylsulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 4-(benzenesulfonylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 4-(benzenesulfonylsulfonylamino)-3-[3-(2-hydroxyphenyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 4-(besylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C28H27N3O8S3 MolecularWeight: 629.72428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)S(=O)(=O)C5=CC=CC=C5

InChI

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