phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(oxidanylamino)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(oxidanylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(hydroxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(hydroxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(hydroxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(hydroxyamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNO)C3=CC=C(C=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNO)C3=CC=C(C=C3)C4=CC=CC=C4O

InChI

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