N-[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]quinoline-8-sulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]quinoline-8-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)methylthio]-1-methyl-5-benzimidazolyl]-8-quinolinesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-1-methylbenzimidazol-5-yl]quinoline-8-sulfonamide Traditional Name: N-[2-[(4-cyanobenzyl)thio]-1-methyl-benzimidazol-5-yl]quinoline-8-sulfonamide Formula: C25H19N5O2S2 MolecularWeight: 485.58066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1SCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H19N5O2S2/c1-30-22-12-11-20(29-34(31,32)23-6-2-4-19-5-3-13-27-24(19)23)14-21(22)28-25(30)33-16-18-9-7-17(15-26)8-10-18/h2-14,29H,16H2,1H3