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

Systemtic Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one hydrochloride Openeye Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one hydrochloride CAS Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone hydrochloride IUPAC Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one hydrochloride Traditional Name: 5-(dimethylaminomethyl)-2-(3-hydroxyphenyl)-3-(4-mesylphenyl)cyclopent-2-en-1-one hydrochloride Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S.ClH/c1-22(2)13-16-12-19(14-7-9-18(10-8-14)27(3,25)26)20(21(16)24)15-5-4-6-17(23)11-15;/h4-11,16,23H,12-13H2,1-3H3;1H