2-[[(4-cyanophenyl)amino]methyl]-1-methyl-N-[3-(methylsulfonylamino)-3-oxidanylidene-propyl]-N-pyridin-2-yl-benzimidazole-5-carboxamide

Systemtic Name: 2-[[(4-cyanophenyl)amino]methyl]-1-methyl-N-[3-(methylsulfonylamino)-3-oxidanylidene-propyl]-N-pyridin-2-yl-benzimidazole-5-carboxamide Openeye Name: 2-[(4-cyanoanilino)methyl]-N-[3-(methanesulfonamido)-3-oxo-propyl]-1-methyl-N-(2-pyridyl)benzimidazole-5-carboxamide CAS Name: 2-[(4-cyanoanilino)methyl]-N-[3-(methanesulfonamido)-3-oxopropyl]-1-methyl-N-(2-pyridinyl)-5-benzimidazolecarboxamide IUPAC Name: 2-[(4-cyanoanilino)methyl]-N-[3-(methanesulfonamido)-3-oxopropyl]-1-methyl-N-pyridin-2-ylbenzimidazole-5-carboxamide Traditional Name: 2-[(4-cyanoanilino)methyl]-N-[3-keto-3-(methanesulfonamido)propyl]-1-methyl-N-(2-pyridyl)benzimidazole-5-carboxamide Formula: C26H25N7O4S MolecularWeight: 531.5862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)NS(=O)(=O)C)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)NS(=O)(=O)C)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25N7O4S/c1-32-22-11-8-19(15-21(22)30-24(32)17-29-20-9-6-18(16-27)7-10-20)26(35)33(23-5-3-4-13-28-23)14-12-25(34)31-38(2,36)37/h3-11,13,15,29H,12,14,17H2,1-2H3,(H,31,34)