3-(phenylmethyl)-4-[3-(4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline

Systemtic Name: 3-(phenylmethyl)-4-[3-(4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline Openeye Name: 3-benzyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline CAS Name: 3-(phenylmethyl)-4-[3-[4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)quinoline IUPAC Name: 3-benzyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline Traditional Name: 3-benzyl-4-[3-(4-pyrrolidinosulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline Formula: C33H27F3N2O3S MolecularWeight: 588.63929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3)C4=C5C=CC=C(C5=NC=C4CC6=CC=CC=C6)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3)C4=C5C=CC=C(C5=NC=C4CC6=CC=CC=C6)C(F)(F)F

InChI

InChI=1S/C33H27F3N2O3S/c34-33(35,36)30-13-7-12-29-31(25(22-37-32(29)30)20-23-8-2-1-3-9-23)24-10-6-11-27(21-24)41-26-14-16-28(17-15-26)42(39,40)38-18-4-5-19-38/h1-3,6-17,21-22H,4-5,18-20H2