[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O5S/c26-16-20(25-27-21-6-2-3-7-22(21)28-25)23(30)17-34-24(31)13-10-18-8-11-19(12-9-18)35(32,33)29-14-4-1-5-15-29/h2-3,6-9,11-12,27-28H,1,4-5,10,13-15,17H2