N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-oxidanyl-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-oxidanyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-hydroxy-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-hydroxyphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-hydroxyphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-hydroxy-phenyl]-4-methyl-benzenesulfonamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H19N3O3S2/c1-12-4-7-16(8-5-12)27(24,25)22-15-6-9-17(23)18(11-15)26-19-20-13(2)10-14(3)21-19/h4-11,22-23H,1-3H3