N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]benzenesulfonamide CAS Name: N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide Traditional Name: N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]benzenesulfonamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O2S2/c1-14-11-15(2)23-21(22-14)29-13-20-24-18-12-16(9-10-19(18)26(20)3)25-30(27,28)17-7-5-4-6-8-17/h4-12,25H,13H2,1-3H3