N-[6-chloranyl-5-[(2-methylsulfanylphenyl)methyl]pyrimidin-4-yl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[6-chloranyl-5-[(2-methylsulfanylphenyl)methyl]pyrimidin-4-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[6-chloro-5-[(2-methylsulfanylphenyl)methyl]pyrimidin-4-yl]-4-isopropyl-benzenesulfonamide CAS Name: N-[6-chloro-5-[[2-(methylthio)phenyl]methyl]-4-pyrimidinyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[6-chloro-5-[(2-methylsulfanylphenyl)methyl]pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[6-chloro-5-[2-(methylthio)benzyl]pyrimidin-4-yl]-4-isopropyl-benzenesulfonamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)CC3=CC=CC=C3SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)CC3=CC=CC=C3SC

InChI

InChI=1S/C21H22ClN3O2S2/c1-14(2)15-8-10-17(11-9-15)29(26,27)25-21-18(20(22)23-13-24-21)12-16-6-4-5-7-19(16)28-3/h4-11,13-14H,12H2,1-3H3,(H,23,24,25)