phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-[(2-hydroxyphenyl)amino]ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-[(2-hydroxyphenyl)amino]ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-bromopiperazin-1-yl)-2-(2-hydroxyanilino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-bromo-1-piperazinyl)-2-(2-hydroxyanilino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-bromopiperazin-1-yl)-2-(2-hydroxyanilino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-bromopiperazino)-2-(2-hydroxyanilino)ethyl]benzenesulfonic acid phenyl ester Formula: C24H26BrN3O4S MolecularWeight: 532.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C(CNC2=CC=CC=C2O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H26BrN3O4S/c25-24-17-28(15-14-26-24)22(16-27-21-8-4-5-9-23(21)29)18-10-12-20(13-11-18)33(30,31)32-19-6-2-1-3-7-19/h1-13,22,24,26-27,29H,14-17H2