4-[[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 4-[[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 4-[[4-[4-(1,1-dimethylpropyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 4-[[4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 4-[[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 4-[[4-(4-tert-amylphenyl)sulfonylpiperazino]methyl]quinoline Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C25H31N3O2S/c1-4-25(2,3)21-9-11-22(12-10-21)31(29,30)28-17-15-27(16-18-28)19-20-13-14-26-24-8-6-5-7-23(20)24/h5-14H,4,15-19H2,1-3H3