phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-(phenylsulfonylamino)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-(phenylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(benzenesulfonamido)-1-(3-bromopiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(benzenesulfonamido)-1-(3-bromo-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonamido)-1-(3-bromopiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(benzenesulfonamido)-1-(3-bromopiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C24H26BrN3O5S2 MolecularWeight: 580.51434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H26BrN3O5S2/c25-24-18-28(16-15-26-24)23(17-27-34(29,30)21-9-5-2-6-10-21)19-11-13-22(14-12-19)35(31,32)33-20-7-3-1-4-8-20/h1-14,23-24,26-27H,15-18H2