7-[[2-(4-ethylsulfinylphenyl)phenyl]carbonylamino]-N-[phenyl(pyridin-2-yl)methyl]quinoline-3-carboxamide

Systemtic Name: 7-[[2-(4-ethylsulfinylphenyl)phenyl]carbonylamino]-N-[phenyl(pyridin-2-yl)methyl]quinoline-3-carboxamide Openeye Name: 7-[[2-(4-ethylsulfinylphenyl)benzoyl]amino]-N-[phenyl(2-pyridyl)methyl]quinoline-3-carboxamide CAS Name: 7-[[[2-(4-ethylsulfinylphenyl)phenyl]-oxomethyl]amino]-N-[phenyl(2-pyridinyl)methyl]-3-quinolinecarboxamide IUPAC Name: 7-[[2-(4-ethylsulfinylphenyl)benzoyl]amino]-N-[phenyl(pyridin-2-yl)methyl]quinoline-3-carboxamide Traditional Name: 7-[[2-(4-ethylsulfinylphenyl)benzoyl]amino]-N-[phenyl(2-pyridyl)methyl]quinoline-3-carboxamide Formula: C37H30N4O3S MolecularWeight: 610.7241

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC4=NC=C(C=C4C=C3)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=N6

Isomeric SMILES

CCS(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC4=NC=C(C=C4C=C3)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=N6

InChI

InChI=1S/C37H30N4O3S/c1-2-45(44)30-19-16-25(17-20-30)31-12-6-7-13-32(31)37(43)40-29-18-15-27-22-28(24-39-34(27)23-29)36(42)41-35(26-10-4-3-5-11-26)33-14-8-9-21-38-33/h3-24,35H,2H2,1H3,(H,40,43)(H,41,42)