3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-N,N-diethyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-N,N-diethyl-4-methyl-benzenesulfonamide Openeye Name: 3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-N,N-diethyl-4-methyl-benzenesulfonamide CAS Name: 3-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-N,N-diethyl-4-methylbenzenesulfonamide IUPAC Name: 3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide Traditional Name: 3-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-N,N-diethyl-4-methyl-benzenesulfonamide Formula: C20H26BrN5O3S MolecularWeight: 496.42114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN5O3S/c1-4-26(5-2)30(28,29)17-7-6-15(3)18(12-17)19(27)24-8-10-25(11-9-24)20-22-13-16(21)14-23-20/h6-7,12-14H,4-5,8-11H2,1-3H3