4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C17H20BrN5O3S MolecularWeight: 454.3414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C17H20BrN5O3S/c1-21(2)27(25,26)15-5-3-13(4-6-15)16(24)22-7-9-23(10-8-22)17-19-11-14(18)12-20-17/h3-6,11-12H,7-10H2,1-2H3