[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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