phenyl 2-(3-bromanylpiperazin-1-yl)-5-(2-hydroxyphenyl)benzenesulfonate

Systemtic Name: phenyl 2-(3-bromanylpiperazin-1-yl)-5-(2-hydroxyphenyl)benzenesulfonate Openeye Name: phenyl 2-(3-bromopiperazin-1-yl)-5-(2-hydroxyphenyl)benzenesulfonate CAS Name: 2-(3-bromo-1-piperazinyl)-5-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-bromopiperazin-1-yl)-5-(2-hydroxyphenyl)benzenesulfonate Traditional Name: 2-(3-bromopiperazino)-5-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C2=C(C=C(C=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C2=C(C=C(C=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

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