5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-(3-propan-2-ylphenyl)cyclopent-2-en-1-one hydrochloride

Systemtic Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-(3-propan-2-ylphenyl)cyclopent-2-en-1-one hydrochloride Openeye Name: 5-(dimethylaminomethyl)-2-(3-isopropylphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one hydrochloride CAS Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-(3-propan-2-ylphenyl)-1-cyclopent-2-enone hydrochloride IUPAC Name: 5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-2-(3-propan-2-ylphenyl)cyclopent-2-en-1-one hydrochloride Traditional Name: 5-(dimethylaminomethyl)-2-m-cumenyl-3-(4-mesylphenyl)cyclopent-2-en-1-one hydrochloride Formula: C24H30ClNO3S MolecularWeight: 448.0179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2=C(CC(C2=O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2=C(CC(C2=O)CN(C)C)C3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C24H29NO3S.ClH/c1-16(2)18-7-6-8-19(13-18)23-22(14-20(24(23)26)15-25(3)4)17-9-11-21(12-10-17)29(5,27)28;/h6-13,16,20H,14-15H2,1-5H3;1H