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

Systemtic Name: 8-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]methyl]quinoline Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-16-14-19(7-8-20(16)22)28(26,27)25-12-10-24(11-13-25)15-18-5-2-4-17-6-3-9-23-21(17)18/h2-9,14H,10-13,15H2,1H3