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

Systemtic Name: N-[2-(3-bromanylpiperazin-1-yl)-4-propyl-phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-(3-bromopiperazin-1-yl)-4-propyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-(3-bromo-1-piperazinyl)-4-propylphenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-(3-bromopiperazin-1-yl)-4-propylphenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-bromopiperazino)-4-propyl-phenyl]-1-phenyl-methanesulfonamide Formula: C20H26BrN3O2S MolecularWeight: 452.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)Br

InChI

InChI=1S/C20H26BrN3O2S/c1-2-6-16-9-10-18(19(13-16)24-12-11-22-20(21)14-24)23-27(25,26)15-17-7-4-3-5-8-17/h3-5,7-10,13,20,22-23H,2,6,11-12,14-15H2,1H3