2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]propanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-3-(4-piperidinosulfonylphenyl)propionitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H20N4O3S/c22-14-17(21-23-18-6-2-3-7-19(18)24-21)20(26)15-8-10-16(11-9-15)29(27,28)25-12-4-1-5-13-25/h2-3,6-11,23-24H,1,4-5,12-13H2