2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-(4-oxo-4-phenyl-butyl)sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-oxo-4-phenylbutyl)thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-(4-oxo-4-phenylbutyl)sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-keto-4-phenyl-butyl)thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c1-2-12-23-18-11-10-16(28(21,25)26)14-17(18)22-20(23)27-13-6-9-19(24)15-7-4-3-5-8-15/h3-5,7-8,10-11,14H,2,6,9,12-13H2,1H3,(H2,21,25,26)