phenyl 4-[5-phenoxysulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-phenoxysulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-phenoxysulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-phenoxysulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-phenoxysulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-phenoxysulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H27N3O11S4 MolecularWeight: 709.78748

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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)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O11S4/c32-43(33,40-22-10-4-1-5-11-22)25-16-17-26(30-45(36,37)46(38,39)42-24-14-8-3-9-15-24)27(20-25)31-19-18-29-28(21-31)44(34,35)41-23-12-6-2-7-13-23/h1-17,20,28-30H,18-19,21H2