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

Systemtic Name: 5-(dimethylaminomethyl)-2-(3-ethoxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 5-(dimethylaminomethyl)-2-(3-ethoxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 5-(dimethylaminomethyl)-2-(3-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 5-(dimethylaminomethyl)-2-(3-ethoxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 5-(dimethylaminomethyl)-3-(4-mesylphenyl)-2-m-phenetyl-cyclopent-2-en-1-one Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(CC(C2=O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(CC(C2=O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H27NO4S/c1-5-28-19-8-6-7-17(13-19)22-21(14-18(23(22)25)15-24(2)3)16-9-11-20(12-10-16)29(4,26)27/h6-13,18H,5,14-15H2,1-4H3