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

Systemtic Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]benzenesulfonamide CAS Name: N-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]benzenesulfonamide Traditional Name: N-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]benzenesulfonamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C22H23N5O2S2/c1-4-27-20-11-10-17(26-31(28,29)18-8-6-5-7-9-18)13-19(20)25-21(27)14-30-22-23-15(2)12-16(3)24-22/h5-13,26H,4,14H2,1-3H3