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

Systemtic Name: 3-bromanyl-1-[5-(2-methylpropyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-isobutyl-phenyl]-3-bromo-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-methylpropyl)phenyl]-3-bromopiperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-methylpropyl)phenyl]-3-bromopiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-isobutyl-phenyl]-3-bromo-piperazine Formula: C20H26BrN3O4S2 MolecularWeight: 516.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)Br

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)Br

InChI

InChI=1S/C20H26BrN3O4S2/c1-15(2)12-16-8-9-18(19(13-16)24-11-10-22-20(21)14-24)23-30(27,28)29(25,26)17-6-4-3-5-7-17/h3-9,13,15,20,22-23H,10-12,14H2,1-2H3