N-[4-(2-methylpropyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamoyl bromide

Systemtic Name: N-[4-(2-methylpropyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamoyl bromide Openeye Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-isobutyl-phenyl]sulfamoyl bromide CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-(2-methylpropyl)phenyl]sulfamoyl bromide IUPAC Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-(2-methylpropyl)phenyl]sulfamoyl bromide Traditional Name: N-[2-(3-besylpiperazino)-4-isobutyl-phenyl]sulfamoyl bromide 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)Br)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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