8-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]quinoline Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-17-8-9-18(2)21(15-17)28(26,27)25-13-11-24(12-14-25)16-20-6-3-5-19-7-4-10-23-22(19)20/h3-10,15H,11-14,16H2,1-2H3