N-[2-(3-bromanylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[2-(3-bromanylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-(3-bromopiperazin-1-yl)-4-isobutyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-(3-bromo-1-piperazinyl)-4-(2-methylpropyl)phenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-(3-bromopiperazin-1-yl)-4-(2-methylpropyl)phenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-bromopiperazino)-4-isobutyl-phenyl]-1-phenyl-methanesulfonamide Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)Br

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)Br

InChI

InChI=1S/C21H28BrN3O2S/c1-16(2)12-18-8-9-19(20(13-18)25-11-10-23-21(22)14-25)24-28(26,27)15-17-6-4-3-5-7-17/h3-9,13,16,21,23-24H,10-12,14-15H2,1-2H3