N-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide

Systemtic Name: N-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: N-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-oxo-butyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-[4-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-4-oxobutyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: N-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide Traditional Name: N-[4-[4-(5-bromopyrimidin-2-yl)piperazino]-4-keto-butyl]-N-methyl-thiophene-2-sulfonamide Formula: C17H22BrN5O3S2 MolecularWeight: 488.42228

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)Br)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)Br)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22BrN5O3S2/c1-21(28(25,26)16-5-3-11-27-16)6-2-4-15(24)22-7-9-23(10-8-22)17-19-12-14(18)13-20-17/h3,5,11-13H,2,4,6-10H2,1H3