4-tert-butyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-[(4-methyl-2-pyrimidinyl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)thio]phenyl]benzenesulfonamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NC(=NC=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H23N3O2S2/c1-15-13-14-22-20(23-15)27-18-9-7-17(8-10-18)24-28(25,26)19-11-5-16(6-12-19)21(2,3)4/h5-14,24H,1-4H3