2-(1H-benzimidazol-2-yl)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-keto-3-(4-pyrrolidinosulfonylphenyl)propionitrile Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O3S/c21-13-16(20-22-17-5-1-2-6-18(17)23-20)19(25)14-7-9-15(10-8-14)28(26,27)24-11-3-4-12-24/h1-2,5-10,16H,3-4,11-12H2,(H,22,23)