1-butyl-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(1-oxo-1-phenylpropan-2-yl)thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-keto-1-methyl-2-phenyl-ethyl)thio]benzimidazole-5-sulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c1-3-4-12-23-18-11-10-16(28(21,25)26)13-17(18)22-20(23)27-14(2)19(24)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H2,21,25,26)