2-[(4-bromophenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-butyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-butyl-3H-benzimidazole-5-sulfonamide Formula: C18H20BrN3O2S2 MolecularWeight: 454.4043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O2S2/c1-2-3-10-20-26(23,24)15-8-9-16-17(11-15)22-18(21-16)25-12-13-4-6-14(19)7-5-13/h4-9,11,20H,2-3,10,12H2,1H3,(H,21,22)