3-bromanyl-1-[5-(2-hydroxyphenyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine

Systemtic Name: 3-bromanyl-1-[5-(2-hydroxyphenyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]-3-bromo-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]-3-bromopiperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]-3-bromopiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]-3-bromo-piperazine Formula: C22H22BrN3O5S2 MolecularWeight: 552.46118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O5S2/c23-22-15-26(13-12-24-22)20-14-16(18-8-4-5-9-21(18)27)10-11-19(20)25-33(30,31)32(28,29)17-6-2-1-3-7-17/h1-11,14,22,24-25,27H,12-13,15H2