[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-butylphenyl)ethanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-butylphenyl)ethanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2-(4-butylphenyl)acetate CAS Name: 2-(4-butylphenyl)acetic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(4-butylphenyl)acetate Traditional Name: 2-(4-butylphenyl)acetic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-3-4-6-16-9-11-17(12-10-16)13-21(24)27-15-20(23)22-18-7-5-8-19(14-18)28(2,25)26/h5,7-12,14H,3-4,6,13,15H2,1-2H3,(H,22,23)