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

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

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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

Isomeric SMILES

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

InChI

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