5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

Systemtic Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-mesylphenyl)cyclopent-2-en-1-one Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC(=C(C1=O)C2=CC(=CC=C2)O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CC1CC(=C(C1=O)C2=CC(=CC=C2)O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO4S/c1-22(2)13-16-12-19(14-7-9-18(10-8-14)27(3,25)26)20(21(16)24)15-5-4-6-17(23)11-15/h4-11,16,23H,12-13H2,1-3H3