3-chloranyl-4-fluoranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-[(1S)-3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[(2S)-4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide IUPAC Name: 3-chloro-4-fluoro-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-[(1S)-3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]benzenesulfonamide Formula: C19H23ClFN5O3S2 MolecularWeight: 487.999023

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H23ClFN5O3S2/c1-30-12-5-17(24-31(28,29)14-3-4-16(21)15(20)13-14)18(27)25-8-10-26(11-9-25)19-22-6-2-7-23-19/h2-4,6-7,13,17,24H,5,8-12H2,1H3/t17-/m0/s1