N,N-diethyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-[[1-(m-tolyl)imidazol-2-yl]sulfanylmethyl]-3H-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[[[1-(3-methylphenyl)-2-imidazolyl]thio]methyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: N,N-diethyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3H-benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[[[1-(m-tolyl)imidazol-2-yl]thio]methyl]-3H-benzimidazole-5-sulfonamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NC=CN3C4=CC=CC(=C4)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NC=CN3C4=CC=CC(=C4)C

InChI

InChI=1S/C22H25N5O2S2/c1-4-26(5-2)31(28,29)18-9-10-19-20(14-18)25-21(24-19)15-30-22-23-11-12-27(22)17-8-6-7-16(3)13-17/h6-14H,4-5,15H2,1-3H3,(H,24,25)