8-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-(3-bromophenyl)sulfonylpiperazino]methyl]quinoline Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-18-7-2-8-19(14-18)27(25,26)24-12-10-23(11-13-24)15-17-5-1-4-16-6-3-9-22-20(16)17/h1-9,14H,10-13,15H2