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

Systemtic Name: phenyl 3-(3-bromanylpiperazin-1-yl)-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonate Openeye Name: phenyl 3-(3-bromopiperazin-1-yl)-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonate CAS Name: 3-(3-bromo-1-piperazinyl)-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-bromopiperazin-1-yl)-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonate Traditional Name: 3-(3-bromopiperazino)-4-[(2-hydroxyphenyl)sulfonylamino]benzenesulfonic acid phenyl ester Formula: C22H22BrN3O6S2 MolecularWeight: 568.46058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)Br)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4O

InChI

InChI=1S/C22H22BrN3O6S2/c23-22-15-26(13-12-24-22)19-14-17(34(30,31)32-16-6-2-1-3-7-16)10-11-18(19)25-33(28,29)21-9-5-4-8-20(21)27/h1-11,14,22,24-25,27H,12-13,15H2