(E)-5-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-yl)-3-oxidanylidene-pent-4-enenitrile

Systemtic Name: (E)-5-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-yl)-3-oxidanylidene-pent-4-enenitrile Openeye Name: (E)-5-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-yl)-3-oxo-pent-4-enenitrile CAS Name: (E)-5-[4-(1-azepanylsulfonyl)phenyl]-2-(1H-benzimidazol-2-yl)-3-oxo-4-pentenenitrile IUPAC Name: (E)-5-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-yl)-3-oxopent-4-enenitrile Traditional Name: (E)-5-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-yl)-3-keto-pent-4-enenitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H24N4O3S/c25-17-20(24-26-21-7-3-4-8-22(21)27-24)23(29)14-11-18-9-12-19(13-10-18)32(30,31)28-15-5-1-2-6-16-28/h3-4,7-14,20H,1-2,5-6,15-16H2,(H,26,27)/b14-11+