1-ethyl-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C19H21N3O3S2/c1-3-13-5-7-14(8-6-13)18(23)12-26-19-21-16-11-15(27(20,24)25)9-10-17(16)22(19)4-2/h5-11H,3-4,12H2,1-2H3,(H2,20,24,25)