phenyl 4-[4-bromanyl-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-bromanyl-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[4-bromo-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[4-bromo-2-(2-hydroxyphenyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-bromo-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[4-bromo-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4S/c23-16-10-11-20(19(14-16)18-8-4-5-9-21(18)26)25-13-12-24-22(15-25)30(27,28)29-17-6-2-1-3-7-17/h1-11,14,22,24,26H,12-13,15H2