[2-(4-tert-butylphenyl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-yl] ethanoate

Systemtic Name: [2-(4-tert-butylphenyl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-yl] ethanoate Openeye Name: [2-(4-tert-butylphenyl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-yl] acetate CAS Name: acetic acid [2-(4-tert-butylphenyl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-yl] acetate Traditional Name: acetic acid [2-(4-tert-butylphenyl)-5-(dimethylaminomethyl)-3-(4-mesylphenyl)cyclopent-2-en-1-yl] ester Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC(=C1C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)S(=O)(=O)C)CN(C)C

Isomeric SMILES

CC(=O)OC1C(CC(=C1C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)S(=O)(=O)C)CN(C)C

InChI

InChI=1S/C27H35NO4S/c1-18(29)32-26-21(17-28(5)6)16-24(19-10-14-23(15-11-19)33(7,30)31)25(26)20-8-12-22(13-9-20)27(2,3)4/h8-15,21,26H,16-17H2,1-7H3