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

Systemtic Name: phenyl 4-[1-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(oxidanylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(hydroxyamino)-1-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzenesulfonate CAS Name: 4-[2-(hydroxyamino)-1-[3-(2-hydroxyphenyl)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(hydroxyamino)-1-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzenesulfonate Traditional Name: 4-[2-(hydroxyamino)-1-[3-(2-hydroxyphenyl)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C(CNO)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C(CNO)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S/c28-24-9-5-4-8-21(24)22-17-27(15-14-25-22)23(16-26-29)18-10-12-20(13-11-18)33(30,31)32-19-6-2-1-3-7-19/h1-13,22-23,25-26,28-29H,14-17H2