2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazino]methyl]indolizine-1-carbonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN4C=CC=CC4=C3C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN4C=CC=CC4=C3C#N)C

InChI

InChI=1S/C22H24N4O2S/c1-17-6-7-22(18(2)13-17)29(27,28)26-11-9-24(10-12-26)15-19-16-25-8-4-3-5-21(25)20(19)14-23/h3-8,13,16H,9-12,15H2,1-2H3