2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]indolizine-1-carbonitrile Formula: C20H18BrClN4O2S MolecularWeight: 493.80452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C20H18BrClN4O2S/c21-16-4-5-20(18(22)11-16)29(27,28)26-9-7-24(8-10-26)13-15-14-25-6-2-1-3-19(25)17(15)12-23/h1-6,11,14H,7-10,13H2