1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-ethyl-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H22BrN5O2S2 MolecularWeight: 544.48708

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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(S5)Br

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C23H22BrN5O2S2/c1-3-16-15(2)17(14-25)22-26-18-6-4-5-7-19(18)29(22)23(16)27-10-12-28(13-11-27)33(30,31)21-9-8-20(24)32-21/h4-9H,3,10-13H2,1-2H3