3-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H24N4O3S/c1-26-21-9-5-4-8-20(21)25-23(26)19(16-24)22(28)17-10-12-18(13-11-17)31(29,30)27-14-6-2-3-7-15-27/h4-5,8-13,19H,2-3,6-7,14-15H2,1H3