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

Systemtic Name: N-(4-methylsulfonylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Openeye Name: 3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]-N-(4-methylsulfonylphenyl)benzamide CAS Name: N-(4-methylsulfonylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]benzamide IUPAC Name: N-(4-methylsulfonylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Traditional Name: 3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]-N-(4-mesylphenyl)benzamide Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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

InChI

InChI=1S/C27H26N2O5S2/c1-27(2,36(4,33)34)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(13-11-22)35(3,31)32/h5-17H,1-4H3,(H,29,30)