N-(2-cyanoethyl)-2-phenyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-2-phenyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-sulfonamide Openeye Name: N-(2-cyanoethyl)-2-phenyl-N-(3-pyridylmethyl)-3H-benzimidazole-5-sulfonamide CAS Name: N-(2-cyanoethyl)-2-phenyl-N-(3-pyridinylmethyl)-3H-benzimidazole-5-sulfonamide IUPAC Name: N-(2-cyanoethyl)-2-phenyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-sulfonamide Traditional Name: N-(2-cyanoethyl)-2-phenyl-N-(3-pyridylmethyl)-3H-benzimidazole-5-sulfonamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C22H19N5O2S/c23-11-5-13-27(16-17-6-4-12-24-15-17)30(28,29)19-9-10-20-21(14-19)26-22(25-20)18-7-2-1-3-8-18/h1-4,6-10,12,14-15H,5,13,16H2,(H,25,26)