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

Systemtic Name: 5-(dimethylaminomethyl)-2-(3-methylphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-(m-tolyl)cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-2-(3-methylphenyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-2-(3-methylphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-3-(4-mesylphenyl)-2-(m-tolyl)cyclopent-2-en-1-one Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(CC(C2=O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(CC(C2=O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H25NO3S/c1-15-6-5-7-17(12-15)21-20(13-18(22(21)24)14-23(2)3)16-8-10-19(11-9-16)27(4,25)26/h5-12,18H,13-14H2,1-4H3