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

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C24H23N5O2S/c1-18-15-23(29-22-10-6-5-9-21(22)26-24(29)20(18)16-25)27-11-13-28(14-12-27)32(30,31)17-19-7-3-2-4-8-19/h2-10,15H,11-14,17H2,1H3