6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one

Systemtic Name: 6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Openeye Name: 6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one CAS Name: 6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-quinolinone IUPAC Name: 6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-4-quinolone Formula: C28H25NO4S MolecularWeight: 471.5674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO4S/c1-29-19-23(17-22-9-14-25(15-10-22)34(3,31)32)28(30)26-18-21(11-16-27(26)29)6-4-5-20-7-12-24(33-2)13-8-20/h7-16,18-19H,5,17H2,1-3H3