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

Systemtic Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(phenylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(benzenesulfonamido)-1-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzenesulfonate CAS Name: 4-[2-(benzenesulfonamido)-1-[3-(2-hydroxyphenyl)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonamido)-1-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzenesulfonate Traditional Name: 4-[2-(benzenesulfonamido)-1-[3-(2-hydroxyphenyl)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C30H31N3O6S2 MolecularWeight: 593.71364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O6S2/c34-30-14-8-7-13-27(30)28-22-33(20-19-31-28)29(21-32-40(35,36)25-11-5-2-6-12-25)23-15-17-26(18-16-23)41(37,38)39-24-9-3-1-4-10-24/h1-18,28-29,31-32,34H,19-22H2