4-[2-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S2/c1-26-19-22-17(15-5-3-2-4-6-15)13-18(23-19)21-12-11-14-7-9-16(10-8-14)27(20,24)25/h2-10,13H,11-12H2,1H3,(H2,20,24,25)(H,21,22,23)