1-butyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-isopropylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-propan-2-ylphenyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-isopropylbenzyl)thio]benzimidazole-5-sulfonamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H27N3O2S2/c1-4-5-12-24-20-11-10-18(28(22,25)26)13-19(20)23-21(24)27-14-16-6-8-17(9-7-16)15(2)3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H2,22,25,26)