2-ethyl-3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-ethyl-3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-ethyl-3-methyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-ethyl-3-methyl-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-ethyl-3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-ethyl-3-methyl-1-(4-tosylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H27N5O2S/c1-4-21-19(3)22(17-27)25-28-23-7-5-6-8-24(23)31(25)26(21)29-13-15-30(16-14-29)34(32,33)20-11-9-18(2)10-12-20/h5-12H,4,13-16H2,1-3H3