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

Systemtic Name: 5-(dimethylaminomethyl)-2-(3-methoxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-2-(3-methoxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-2-(3-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-2-(3-methoxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-3-(4-mesylphenyl)-2-(3-methoxyphenyl)cyclopent-2-en-1-one Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-23(2)14-17-13-20(15-8-10-19(11-9-15)28(4,25)26)21(22(17)24)16-6-5-7-18(12-16)27-3/h5-12,17H,13-14H2,1-4H3