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

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile CAS Name: 2-(1-methyl-2-benzimidazolyl)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 3-keto-2-(1-methylbenzimidazol-2-yl)-3-(4-pyrrolidinosulfonylphenyl)propionitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

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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)N4CCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20N4O3S/c1-24-19-7-3-2-6-18(19)23-21(24)17(14-22)20(26)15-8-10-16(11-9-15)29(27,28)25-12-4-5-13-25/h2-3,6-11,17H,4-5,12-13H2,1H3