N-[(2S)-1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C20H26BrN5O3S/c1-14(2)18(24-30(28,29)17-6-4-15(3)5-7-17)19(27)25-8-10-26(11-9-25)20-22-12-16(21)13-23-20/h4-7,12-14,18,24H,8-11H2,1-3H3/t18-/m0/s1