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

Systemtic Name: 5-(dimethylaminomethyl)-2,3-bis(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-2,3-bis(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-2,3-bis(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-2,3-bis(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-2,3-bis(4-mesylphenyl)cyclopent-2-en-1-one Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S2/c1-23(2)14-17-13-20(15-5-9-18(10-6-15)29(3,25)26)21(22(17)24)16-7-11-19(12-8-16)30(4,27)28/h5-12,17H,13-14H2,1-4H3