phenyl 4-[2-(phenoxysulfonylamino)-1-[3-(phenylsulfonyl)piperazin-1-yl]ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(phenoxysulfonylamino)-1-[3-(phenylsulfonyl)piperazin-1-yl]ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-[3-(benzenesulfonyl)piperazin-1-yl]-2-(phenoxysulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-[3-(benzenesulfonyl)-1-piperazinyl]-2-(phenoxysulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[3-(benzenesulfonyl)piperazin-1-yl]-2-(phenoxysulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-besylpiperazino)-2-(phenoxysulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C30H31N3O8S3 MolecularWeight: 657.77744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)C2=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)C2=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/C30H31N3O8S3/c34-42(35,27-14-8-3-9-15-27)30-23-33(21-20-31-30)29(22-32-44(38,39)41-26-12-6-2-7-13-26)24-16-18-28(19-17-24)43(36,37)40-25-10-4-1-5-11-25/h1-19,29-32H,20-23H2