4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]butanenitrile CAS Name: 4-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[4-(4-sec-butylphenyl)sulfonylpiperazino]butyronitrile Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C25H29N5O3S/c1-3-18(2)19-8-10-20(11-9-19)34(32,33)30-14-12-29(13-15-30)17-24(31)21(16-26)25-27-22-6-4-5-7-23(22)28-25/h4-11,18,27-28H,3,12-15,17H2,1-2H3