6-(2-methylsulfonylpropan-2-yl)-8-[3-[[2-(1-phenylpyrazol-4-yl)oxyphenoxy]methyl]phenyl]quinoline

Systemtic Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[[2-(1-phenylpyrazol-4-yl)oxyphenoxy]methyl]phenyl]quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-[[2-(1-phenylpyrazol-4-yl)oxyphenoxy]methyl]phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[[2-[(1-phenyl-4-pyrazolyl)oxy]phenoxy]methyl]phenyl]quinoline IUPAC Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-[[2-(1-phenylpyrazol-4-yl)oxyphenoxy]methyl]phenyl]quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-[[2-(1-phenylpyrazol-4-yl)oxyphenoxy]methyl]phenyl]quinoline Formula: C35H31N3O4S MolecularWeight: 589.70334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COC4=CC=CC=C4OC5=CN(N=C5)C6=CC=CC=C6)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COC4=CC=CC=C4OC5=CN(N=C5)C6=CC=CC=C6)S(=O)(=O)C

InChI

InChI=1S/C35H31N3O4S/c1-35(2,43(3,39)40)28-20-27-13-10-18-36-34(27)31(21-28)26-12-9-11-25(19-26)24-41-32-16-7-8-17-33(32)42-30-22-37-38(23-30)29-14-5-4-6-15-29/h4-23H,24H2,1-3H3