N-(4-methylsulfanylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide

Systemtic Name: N-(4-methylsulfanylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Openeye Name: 3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]-N-(4-methylsulfanylphenyl)benzamide CAS Name: 3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]-N-[4-(methylthio)phenyl]benzamide IUPAC Name: N-(4-methylsulfanylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Traditional Name: 3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]-N-[4-(methylthio)phenyl]benzamide Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)SC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)SC)S(=O)(=O)C

InChI

InChI=1S/C27H26N2O3S2/c1-27(2,34(4,31)32)21-16-19-9-6-14-28-25(19)24(17-21)18-7-5-8-20(15-18)26(30)29-22-10-12-23(33-3)13-11-22/h5-17H,1-4H3,(H,29,30)