8-[3-[(2-cyclopentylphenoxy)methyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline

Systemtic Name: 8-[3-[(2-cyclopentylphenoxy)methyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Openeye Name: 8-[3-[(2-cyclopentylphenoxy)methyl]phenyl]-6-(1-methyl-1-methylsulfonyl-ethyl)quinoline CAS Name: 8-[3-[(2-cyclopentylphenoxy)methyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline IUPAC Name: 8-[3-[(2-cyclopentylphenoxy)methyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Traditional Name: 8-[3-[(2-cyclopentylphenoxy)methyl]phenyl]-6-(1-mesyl-1-methyl-ethyl)quinoline Formula: C31H33NO3S MolecularWeight: 499.66362

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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=C4C5CCCC5)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COC4=CC=CC=C4C5CCCC5)S(=O)(=O)C

InChI

InChI=1S/C31H33NO3S/c1-31(2,36(3,33)34)26-19-25-14-9-17-32-30(25)28(20-26)24-13-8-10-22(18-24)21-35-29-16-7-6-15-27(29)23-11-4-5-12-23/h6-10,13-20,23H,4-5,11-12,21H2,1-3H3