N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methylphenyl)methanesulfonamide

Systemtic Name: N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methylphenyl)methanesulfonamide Openeye Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxo-ethyl]-N-(o-tolyl)methanesulfonamide CAS Name: N-[2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide IUPAC Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide Traditional Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-keto-ethyl]-N-(o-tolyl)methanesulfonamide Formula: C18H22BrN5O3S MolecularWeight: 468.36798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)S(=O)(=O)C

InChI

InChI=1S/C18H22BrN5O3S/c1-14-5-3-4-6-16(14)24(28(2,26)27)13-17(25)22-7-9-23(10-8-22)18-20-11-15(19)12-21-18/h3-6,11-12H,7-10,13H2,1-2H3