6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one

Systemtic Name: 6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Openeye Name: 6-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one CAS Name: 6-[3-(2-methoxy-4-pyridinyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-quinolinone IUPAC Name: 6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]-1-methyl-4-quinolone Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC(=NC=C3)OC)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC(=NC=C3)OC)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H24N2O4S/c1-29-18-22(15-21-7-10-23(11-8-21)34(3,31)32)27(30)24-16-19(9-12-25(24)29)5-4-6-20-13-14-28-26(17-20)33-2/h7-14,16-18H,6,15H2,1-3H3