N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-4-methyl-benzenesulfonamide CAS Name: N-[1-ethyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-ethyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]-4-methyl-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=C(C=C3)C)N=C1CSC4=NC=CC(=N4)C

Isomeric SMILES

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

InChI

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