phenyl 4-[2-(phenoxysulfonylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(phenoxysulfonylamino)-1-(4-phenoxysulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(phenoxysulfonylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C30H31N3O9S3 MolecularWeight: 673.77684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O9S3/c34-43(35,40-25-10-4-1-5-11-25)28-18-16-24(17-19-28)29(22-32-45(38,39)42-27-14-8-3-9-15-27)33-21-20-31-30(23-33)44(36,37)41-26-12-6-2-7-13-26/h1-19,29-32H,20-23H2