3-(6-chloranylpyridin-3-yl)carbonyl-6,7-dimethoxy-1-[(4-methylsulfonylphenyl)methyl]quinolin-4-one

Systemtic Name: 3-(6-chloranylpyridin-3-yl)carbonyl-6,7-dimethoxy-1-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Openeye Name: 3-(6-chloropyridine-3-carbonyl)-6,7-dimethoxy-1-[(4-methylsulfonylphenyl)methyl]quinolin-4-one CAS Name: 3-[(6-chloro-3-pyridinyl)-oxomethyl]-6,7-dimethoxy-1-[(4-methylsulfonylphenyl)methyl]-4-quinolinone IUPAC Name: 3-(6-chloropyridine-3-carbonyl)-6,7-dimethoxy-1-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Traditional Name: 3-(6-chloronicotinoyl)-1-(4-mesylbenzyl)-6,7-dimethoxy-4-quinolone Formula: C25H21ClN2O6S MolecularWeight: 512.96204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=CN2CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4=CN=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=CN2CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)C4=CN=C(C=C4)Cl)OC

InChI

InChI=1S/C25H21ClN2O6S/c1-33-21-10-18-20(11-22(21)34-2)28(13-15-4-7-17(8-5-15)35(3,31)32)14-19(25(18)30)24(29)16-6-9-23(26)27-12-16/h4-12,14H,13H2,1-3H3