4-[2-methyl-1-[[3-(phenylsulfonylamino)phenyl]methyl]benzimidazol-5-yl]benzenecarboximidamide

Systemtic Name: 4-[2-methyl-1-[[3-(phenylsulfonylamino)phenyl]methyl]benzimidazol-5-yl]benzenecarboximidamide Openeye Name: 4-[1-[[3-(benzenesulfonamido)phenyl]methyl]-2-methyl-benzimidazol-5-yl]benzamidine CAS Name: 4-[1-[[3-(benzenesulfonamido)phenyl]methyl]-2-methyl-5-benzimidazolyl]benzenecarboximidamide IUPAC Name: 4-[1-[[3-(benzenesulfonamido)phenyl]methyl]-2-methylbenzimidazol-5-yl]benzenecarboximidamide Traditional Name: 4-[1-[3-(benzenesulfonamido)benzyl]-2-methyl-benzimidazol-5-yl]benzamidine Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C=CC(=C2)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CC1=NC2=C(N1CC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C=CC(=C2)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H25N5O2S/c1-19-31-26-17-23(21-10-12-22(13-11-21)28(29)30)14-15-27(26)33(19)18-20-6-5-7-24(16-20)32-36(34,35)25-8-3-2-4-9-25/h2-17,32H,18H2,1H3,(H3,29,30)